N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide

C10H14ClN3O — CID 19330222

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
SMILESO=C(NCCCn1cc(Cl)cn1)C1CC1
InChIInChI=1S/C10H14ClN3O/c11-9-6-13-14(7-9)5-1-4-12-10(15)8-2-3-8/h6-8H,1-5H2,(H,12,15)
InChIKeyQWHQIQQXZKJHES-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.45
Rot. Bonds5

About N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide

N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide (PubChem CID 19330222) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
PubChem CID19330222
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
SMILESO=C(NCCCn1cc(Cl)cn1)C1CC1
InChIInChI=1S/C10H14ClN3O/c11-9-6-13-14(7-9)5-1-4-12-10(15)8-2-3-8/h6-8H,1-5H2,(H,12,15)
InChIKeyQWHQIQQXZKJHES-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,6S)-1-acetyl-6-amino-N-[3-(4-chloropyrazol-1-yl)propyl]azepane-3-carboxamide
CID 165421933
cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 133120673
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 72892139
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
CID 169420827
(3R)-N-[3-(4-chloropyrazol-1-yl)propyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125170570
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
cis-(1S,2R)-2-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51699124
(3R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97136827
(4aR,6S,8aR)-N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163334385
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide (CID 19330222) is N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide is O=C(NCCCn1cc(Cl)cn1)C1CC1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide?
The InChIKey is QWHQIQQXZKJHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-6-13-14(7-9)5-1-4-12-10(15)8-2-3-8/h6-8H,1-5H2,(H,12,15).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide?
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide is sourced from PubChem (CID 19330222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).