4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide

C14H19ClN6O2 — CID 4776508

IUPAC4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)NC)n1
InChIInChI=1S/C14H19ClN6O2/c1-5-20-7-11(12(19-20)14(23)16-4)18-13(22)9(3)21-8(2)10(15)6-17-21/h6-7,9H,5H2,1-4H3,(H,16,23)(H,18,22)
InChIKeyZIQHBHVDIQCCHB-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.62
Rot. Bonds5

About 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide

4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 4776508) has the molecular formula C14H19ClN6O2 and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID4776508
Molecular FormulaC14H19ClN6O2
Molecular Weight338.80 g/mol
Exact Mass338.13
IUPAC Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)NC)n1
InChIInChI=1S/C14H19ClN6O2/c1-5-20-7-11(12(19-20)14(23)16-4)18-13(22)9(3)21-8(2)10(15)6-17-21/h6-7,9H,5H2,1-4H3,(H,16,23)(H,18,22)
InChIKeyZIQHBHVDIQCCHB-UHFFFAOYSA-N
XLogP1.62
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
Methyl 4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776743
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 4776508) is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)NC)n1.
What is the InChIKey of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is ZIQHBHVDIQCCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2/c1-5-20-7-11(12(19-20)14(23)16-4)18-13(22)9(3)21-8(2)10(15)6-17-21/h6-7,9H,5H2,1-4H3,(H,16,23)(H,18,22).
What are the key properties of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4776508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).