1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C8H9N5O — CID 102533990

IUPAC1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C8H9N5O/c9-8(14)7-2-5-13(11-7)6-12-4-1-3-10-12/h1-5H,6H2,(H2,9,14)
InChIKeyKBDHBEIQXYXLPV-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.32
Rot. Bonds3

About 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 102533990) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID102533990
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C8H9N5O/c9-8(14)7-2-5-13(11-7)6-12-4-1-3-10-12/h1-5H,6H2,(H2,9,14)
InChIKeyKBDHBEIQXYXLPV-UHFFFAOYSA-N
XLogP-0.32
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015259
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264469
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
1-(pyrazol-1-ylmethyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19264581
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264533
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanone
CID 19472404
N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264717

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 102533990) is 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccn(Cn2cccn2)n1.
What is the InChIKey of 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KBDHBEIQXYXLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-8(14)7-2-5-13(11-7)6-12-4-1-3-10-12/h1-5H,6H2,(H2,9,14).
What are the key properties of 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 191.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 102533990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).