N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide

C10H14ClN3O — CID 103122400

IUPACN-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CCCl)C2CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-13-6-4-9(12-13)10(15)14(7-5-11)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeySJHPZAUSVNLCQH-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.26
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide

N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide (PubChem CID 103122400) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
PubChem CID103122400
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CCCl)C2CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-13-6-4-9(12-13)10(15)14(7-5-11)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeySJHPZAUSVNLCQH-UHFFFAOYSA-N
XLogP1.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103115823
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 103115758
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-(2-chloroethyl)-N-cyclohexyl-1-methylpyrazole-4-carboxamide
CID 55186075
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103120889
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-[4-(ethylamino)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103115670
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 63391687

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide (CID 103122400) is N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N(CCCl)C2CC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
The InChIKey is SJHPZAUSVNLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-13-6-4-9(12-13)10(15)14(7-5-11)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103122400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).