N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide

C16H17N7O — CID 136570526

IUPACN-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3nnnn3C3CC3)cc2C)cc1
InChIInChI=1S/C16H17N7O/c1-10-3-5-12(6-4-10)22-11(2)9-14(19-22)15(24)17-16-18-20-21-23(16)13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,17,18,21,24)
InChIKeyMZIBDLGSSKXDDP-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.06
Rot. Bonds4

About N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide

N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 136570526) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID136570526
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3nnnn3C3CC3)cc2C)cc1
InChIInChI=1S/C16H17N7O/c1-10-3-5-12(6-4-10)22-11(2)9-14(19-22)15(24)17-16-18-20-21-23(16)13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,17,18,21,24)
InChIKeyMZIBDLGSSKXDDP-UHFFFAOYSA-N
XLogP2.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide
CID 154786288
N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 75472443
1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120515048
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
CID 120643324
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120537361
N-(1-cyclopropyltetrazol-5-yl)-3,4-dihydro-1H-isochromene-6-carboxamide
CID 154801074
4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 120519400
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
N-(3-cyanothiolan-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 75446744

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (CID 136570526) is N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3nnnn3C3CC3)cc2C)cc1.
What is the InChIKey of N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is MZIBDLGSSKXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-10-3-5-12(6-4-10)22-11(2)9-14(19-22)15(24)17-16-18-20-21-23(16)13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,17,18,21,24).
What are the key properties of N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyltetrazol-5-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 136570526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).