N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C15H19N7O — CID 19264533

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2ccn(Cn3cccn3)n2)c(C)n1
InChIInChI=1S/C15H19N7O/c1-3-20-10-13(12(2)18-20)9-16-15(23)14-5-8-22(19-14)11-21-7-4-6-17-21/h4-8,10H,3,9,11H2,1-2H3,(H,16,23)
InChIKeyIHIXPBCFQJLMFW-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.04
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264533) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264533
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2ccn(Cn3cccn3)n2)c(C)n1
InChIInChI=1S/C15H19N7O/c1-3-20-10-13(12(2)18-20)9-16-15(23)14-5-8-22(19-14)11-21-7-4-6-17-21/h4-8,10H,3,9,11H2,1-2H3,(H,16,23)
InChIKeyIHIXPBCFQJLMFW-UHFFFAOYSA-N
XLogP1.04
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19288625
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264682
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624339
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264533) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is CCn1cc(CNC(=O)c2ccn(Cn3cccn3)n2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is IHIXPBCFQJLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-3-20-10-13(12(2)18-20)9-16-15(23)14-5-8-22(19-14)11-21-7-4-6-17-21/h4-8,10H,3,9,11H2,1-2H3,(H,16,23).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).