N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide

C14H16N8O2 — CID 19264717

IUPACN,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H16N8O2/c1-15-14(24)12-11(8-20(2)19-12)17-13(23)10-4-7-22(18-10)9-21-6-3-5-16-21/h3-8H,9H2,1-2H3,(H,15,24)(H,17,23)
InChIKeyOMLHXPFAYDBMCG-UHFFFAOYSA-N
MW328.34 g/mol
LogP-0.07
Rot. Bonds5

About N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide

N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19264717) has the molecular formula C14H16N8O2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID19264717
Molecular FormulaC14H16N8O2
Molecular Weight328.34 g/mol
Exact Mass328.14
IUPAC NameN,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H16N8O2/c1-15-14(24)12-11(8-20(2)19-12)17-13(23)10-4-7-22(18-10)9-21-6-3-5-16-21/h3-8H,9H2,1-2H3,(H,15,24)(H,17,23)
InChIKeyOMLHXPFAYDBMCG-UHFFFAOYSA-N
XLogP-0.07
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19271889
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19270975
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264682
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
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
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19270063
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (CID 19264717) is N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccn(Cn2cccn2)n1.
What is the InChIKey of N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is OMLHXPFAYDBMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O2/c1-15-14(24)12-11(8-20(2)19-12)17-13(23)10-4-7-22(18-10)9-21-6-3-5-16-21/h3-8H,9H2,1-2H3,(H,15,24)(H,17,23).
What are the key properties of N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 328.34 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19264717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).