(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C29H32N6O — CID 40884190

IUPAC(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2
InChIInChI=1S/C29H32N6O/c1-2-6-23-25-24(21(15-30)27(31)36-28(25)33-32-23)22-16-35(20-7-4-3-5-8-20)34-26(22)29-12-17-9-18(13-29)11-19(10-17)14-29/h3-5,7-8,16-19,24H,2,6,9-14,31H2,1H3,(H,32,33)/t17?,18?,19?,24-,29?/m0/s1
InChIKeyNDTUARPVJFIUPZ-NBFJNIPASA-N
MW480.62 g/mol
LogP5.23
Rot. Bonds5

About (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 40884190) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID40884190
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2
InChIInChI=1S/C29H32N6O/c1-2-6-23-25-24(21(15-30)27(31)36-28(25)33-32-23)22-16-35(20-7-4-3-5-8-20)34-26(22)29-12-17-9-18(13-29)11-19(10-17)14-29/h3-5,7-8,16-19,24H,2,6,9-14,31H2,1H3,(H,32,33)/t17?,18?,19?,24-,29?/m0/s1
InChIKeyNDTUARPVJFIUPZ-NBFJNIPASA-N
XLogP5.23
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40730063
4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5024865
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
(4R)-6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743692
(4S)-6-amino-4-(2-nitrophenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743726
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212
6-amino-4-benzyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 644636
6-amino-4-(furan-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3126434
(4S)-6-amino-4-(3-methylthiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 708190
6-amino-4-(5-bromothiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156357
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590
(4R)-6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701227

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 40884190) is (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1[C@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NDTUARPVJFIUPZ-NBFJNIPASA-N. The full InChI is InChI=1S/C29H32N6O/c1-2-6-23-25-24(21(15-30)27(31)36-28(25)33-32-23)22-16-35(20-7-4-3-5-8-20)34-26(22)29-12-17-9-18(13-29)11-19(10-17)14-29/h3-5,7-8,16-19,24H,2,6,9-14,31H2,1H3,(H,32,33)/t17?,18?,19?,24-,29?/m0/s1.
What are the key properties of (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 480.62 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-6-amino-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 40884190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).