N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide

C16H19ClN4O — CID 119617801

IUPACN-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(CN)C2CC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H19ClN4O/c1-21-9-12(16(22)19-14(8-18)10-6-7-10)15(20-21)11-4-2-3-5-13(11)17/h2-5,9-10,14H,6-8,18H2,1H3,(H,19,22)
InChIKeyATTUPZGEUFLCAR-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.21
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 119617801) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID119617801
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(CN)C2CC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H19ClN4O/c1-21-9-12(16(22)19-14(8-18)10-6-7-10)15(20-21)11-4-2-3-5-13(11)17/h2-5,9-10,14H,6-8,18H2,1H3,(H,19,22)
InChIKeyATTUPZGEUFLCAR-UHFFFAOYSA-N
XLogP2.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
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3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119590660
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
CID 111471226
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119590659
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide (CID 119617801) is N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(CN)C2CC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ATTUPZGEUFLCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-21-9-12(16(22)19-14(8-18)10-6-7-10)15(20-21)11-4-2-3-5-13(11)17/h2-5,9-10,14H,6-8,18H2,1H3,(H,19,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119617801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).