2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide

C16H21ClN6O3 — CID 19521175

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2cc(Cl)c(C)n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H21ClN6O3/c1-3-23-15(16(25)21-4-6-26-7-5-21)13(8-18-23)19-14(24)10-22-9-12(17)11(2)20-22/h8-9H,3-7,10H2,1-2H3,(H,19,24)
InChIKeyJGQDYJYOXSHECO-UHFFFAOYSA-N
MW380.84 g/mol
LogP1.17
Rot. Bonds5

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide (PubChem CID 19521175) has the molecular formula C16H21ClN6O3 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
PubChem CID19521175
Molecular FormulaC16H21ClN6O3
Molecular Weight380.84 g/mol
Exact Mass380.14
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
SMILESCCn1ncc(NC(=O)Cn2cc(Cl)c(C)n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H21ClN6O3/c1-3-23-15(16(25)21-4-6-26-7-5-21)13(8-18-23)19-14(24)10-22-9-12(17)11(2)20-22/h8-9H,3-7,10H2,1-2H3,(H,19,24)
InChIKeyJGQDYJYOXSHECO-UHFFFAOYSA-N
XLogP1.17
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
CID 17022862
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519310
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
CID 19529797
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555678
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]butanamide
CID 19549676
3-[4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471371
1-(3-chloro-4-fluorophenyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiourea
CID 19445753
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
CID 19337042
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338974

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide (CID 19521175) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide is CCn1ncc(NC(=O)Cn2cc(Cl)c(C)n2)c1C(=O)N1CCOCC1.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide?
The InChIKey is JGQDYJYOXSHECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O3/c1-3-23-15(16(25)21-4-6-26-7-5-21)13(8-18-23)19-14(24)10-22-9-12(17)11(2)20-22/h8-9H,3-7,10H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide has a molecular weight of 380.84 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19521175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).