N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C20H20N8O2 — CID 19264689

IUPACN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccn(Cn3cccn3)n2)c1
InChIInChI=1S/C20H20N8O2/c1-2-28-18(7-10-22-28)20(30)24-16-6-3-5-15(13-16)23-19(29)17-8-12-27(25-17)14-26-11-4-9-21-26/h3-13H,2,14H2,1H3,(H,23,29)(H,24,30)
InChIKeyKLVNQICZAOPDJZ-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.31
Rot. Bonds7

About N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264689) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264689
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccn(Cn3cccn3)n2)c1
InChIInChI=1S/C20H20N8O2/c1-2-28-18(7-10-22-28)20(30)24-16-6-3-5-15(13-16)23-19(29)17-8-12-27(25-17)14-26-11-4-9-21-26/h3-13H,2,14H2,1H3,(H,23,29)(H,24,30)
InChIKeyKLVNQICZAOPDJZ-UHFFFAOYSA-N
XLogP2.31
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19264997
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276035
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264689) is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccn(Cn3cccn3)n2)c1.
What is the InChIKey of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KLVNQICZAOPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-2-28-18(7-10-22-28)20(30)24-16-6-3-5-15(13-16)23-19(29)17-8-12-27(25-17)14-26-11-4-9-21-26/h3-13H,2,14H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).