1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea

C19H16N10O — CID 166399934

IUPAC1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
SMILESN#Cc1cnn(-c2ccc(NC(=O)Nc3cccc(Cc4nn[nH]n4)c3)cc2)c1N
InChIInChI=1S/C19H16N10O/c20-10-13-11-22-29(18(13)21)16-6-4-14(5-7-16)23-19(30)24-15-3-1-2-12(8-15)9-17-25-27-28-26-17/h1-8,11H,9,21H2,(H2,23,24,30)(H,25,26,27,28)
InChIKeySWZUPNXZCBRRIX-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.07
Rot. Bonds5

About 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea

1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea (PubChem CID 166399934) has the molecular formula C19H16N10O and a molecular weight of 400.41 g/mol. Its IUPAC name is 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
PubChem CID166399934
Molecular FormulaC19H16N10O
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
SMILESN#Cc1cnn(-c2ccc(NC(=O)Nc3cccc(Cc4nn[nH]n4)c3)cc2)c1N
InChIInChI=1S/C19H16N10O/c20-10-13-11-22-29(18(13)21)16-6-4-14(5-7-16)23-19(30)24-15-3-1-2-12(8-15)9-17-25-27-28-26-17/h1-8,11H,9,21H2,(H2,23,24,30)(H,25,26,27,28)
InChIKeySWZUPNXZCBRRIX-UHFFFAOYSA-N
XLogP2.07
TPSA163.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 154844252
1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
CID 166399943
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95286089
N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
CID 51088181
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
CID 94667597
1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea
CID 47081318
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
CID 86942756
N-[3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enyl]acetamide
CID 169466440
acetylene;3-(5-amino-4-cyanopyrazol-1-yl)benzoic acid;ethane
CID 143248982
[4-(5-amino-4-cyanopyrazol-1-yl)phenyl] thiocyanate
CID 121005973
5-(4-fluorophenyl)-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]furan-2-carboxamide
CID 59654655

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
The IUPAC name of 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea (CID 166399934) is 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea is N#Cc1cnn(-c2ccc(NC(=O)Nc3cccc(Cc4nn[nH]n4)c3)cc2)c1N.
What is the InChIKey of 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
The InChIKey is SWZUPNXZCBRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N10O/c20-10-13-11-22-29(18(13)21)16-6-4-14(5-7-16)23-19(30)24-15-3-1-2-12(8-15)9-17-25-27-28-26-17/h1-8,11H,9,21H2,(H2,23,24,30)(H,25,26,27,28).
What are the key properties of 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea has a molecular weight of 400.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea is sourced from PubChem (CID 166399934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).