6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C20H15N7O — CID 23247463

IUPAC6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(Cn3nnc4ccccc43)c2C1c1ccccc1
InChIInChI=1S/C20H15N7O/c21-10-13-17(12-6-2-1-3-7-12)18-15(23-25-20(18)28-19(13)22)11-27-16-9-5-4-8-14(16)24-26-27/h1-9,17H,11,22H2,(H,23,25)
InChIKeyTZFNQMLLSHGBQE-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.42
Rot. Bonds3

About 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 23247463) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID23247463
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(Cn3nnc4ccccc43)c2C1c1ccccc1
InChIInChI=1S/C20H15N7O/c21-10-13-17(12-6-2-1-3-7-12)18-15(23-25-20(18)28-19(13)22)11-27-16-9-5-4-8-14(16)24-26-27/h1-9,17H,11,22H2,(H,23,25)
InChIKeyTZFNQMLLSHGBQE-UHFFFAOYSA-N
XLogP2.42
TPSA118.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1306704
(4S)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1289980
(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1289979
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
6-amino-3-(methoxymethyl)-4-(4-phenylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5144202
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938
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
6-amino-3-ethyl-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156166
ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate
CID 110875310
(4R)-6-amino-3-(methoxymethyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 845578
6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 657972
(4S)-6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743737

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 23247463) is 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(Cn3nnc4ccccc43)c2C1c1ccccc1.
What is the InChIKey of 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is TZFNQMLLSHGBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c21-10-13-17(12-6-2-1-3-7-12)18-15(23-25-20(18)28-19(13)22)11-27-16-9-5-4-8-14(16)24-26-27/h1-9,17H,11,22H2,(H,23,25).
What are the key properties of 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 369.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 23247463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).