N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C17H21ClN4O — CID 43056764

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O/c1-22(2)16(12-5-3-4-6-13(12)18)10-19-17(23)15-9-14(20-21-15)11-7-8-11/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeySVNNYQKKOYDYQA-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 43056764) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID43056764
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O/c1-22(2)16(12-5-3-4-6-13(12)18)10-19-17(23)15-9-14(20-21-15)11-7-8-11/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeySVNNYQKKOYDYQA-UHFFFAOYSA-N
XLogP2.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 167942351
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55740396
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 97454957
5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
CID 60552154
4-bromo-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564381
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 38418024
5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 95618402
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 43056764) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is CN(C)C(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is SVNNYQKKOYDYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-22(2)16(12-5-3-4-6-13(12)18)10-19-17(23)15-9-14(20-21-15)11-7-8-11/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 43056764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).