3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide

C13H18ClN5O — CID 19570486

IUPAC3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCCn1ccc(CNC(=O)C(C)Cn2cc(Cl)cn2)n1
InChIInChI=1S/C13H18ClN5O/c1-3-18-5-4-12(17-18)7-15-13(20)10(2)8-19-9-11(14)6-16-19/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,20)
InChIKeyJJLGUYSMHSXDHI-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.71
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide

3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide (PubChem CID 19570486) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
PubChem CID19570486
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCCn1ccc(CNC(=O)C(C)Cn2cc(Cl)cn2)n1
InChIInChI=1S/C13H18ClN5O/c1-3-18-5-4-12(17-18)7-15-13(20)10(2)8-19-9-11(14)6-16-19/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,20)
InChIKeyJJLGUYSMHSXDHI-UHFFFAOYSA-N
XLogP1.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 19570403
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19570506
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
N-[(1-ethylpyrazol-3-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539198
(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 51392006
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 19570526
(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 39854346
3-(4-chloropyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 56725947

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide (CID 19570486) is 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide is CCn1ccc(CNC(=O)C(C)Cn2cc(Cl)cn2)n1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The InChIKey is JJLGUYSMHSXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-3-18-5-4-12(17-18)7-15-13(20)10(2)8-19-9-11(14)6-16-19/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,20).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide has a molecular weight of 295.77 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 19570486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).