6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H15N7O — CID 135133262

IUPAC6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(C3CC3)c2C1c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H15N7O/c19-9-13-14(10-3-5-12(6-4-10)25-8-7-21-24-25)15-16(11-1-2-11)22-23-18(15)26-17(13)20/h3-8,11,14H,1-2,20H2,(H,22,23)
InChIKeySMYKQKWELUEGCN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.09
Rot. Bonds3

About 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135133262) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135133262
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(C3CC3)c2C1c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H15N7O/c19-9-13-14(10-3-5-12(6-4-10)25-8-7-21-24-25)15-16(11-1-2-11)22-23-18(15)26-17(13)20/h3-8,11,14H,1-2,20H2,(H,22,23)
InChIKeySMYKQKWELUEGCN-UHFFFAOYSA-N
XLogP2.09
TPSA118.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4287209
6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 135133337
(4S)-6-amino-4-(4-fluorophenyl)-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 704764
(4S)-6-amino-4-(4-bromophenyl)-3-(4-cyclohexylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1213882
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212
6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 135133238
6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 135133018
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4069198
6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
(4R)-6-amino-4-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 698789

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135133262) is 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(C3CC3)c2C1c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is SMYKQKWELUEGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-9-13-14(10-3-5-12(6-4-10)25-8-7-21-24-25)15-16(11-1-2-11)22-23-18(15)26-17(13)20/h3-8,11,14H,1-2,20H2,(H,22,23).
What are the key properties of 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 345.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-cyclopropyl-4-[4-(triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135133262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).