1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C18H19ClN4O2 — CID 52718261

IUPAC1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Cn1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1)NC1CC1
InChIInChI=1S/C18H19ClN4O2/c19-13-3-1-12(2-4-13)18(7-8-18)17(25)22-15-9-20-23(10-15)11-16(24)21-14-5-6-14/h1-4,9-10,14H,5-8,11H2,(H,21,24)(H,22,25)
InChIKeyRCZKQNATDMVMPB-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 52718261) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID52718261
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Cn1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1)NC1CC1
InChIInChI=1S/C18H19ClN4O2/c19-13-3-1-12(2-4-13)18(7-8-18)17(25)22-15-9-20-23(10-15)11-16(24)21-14-5-6-14/h1-4,9-10,14H,5-8,11H2,(H,21,24)(H,22,25)
InChIKeyRCZKQNATDMVMPB-UHFFFAOYSA-N
XLogP2.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 155950480
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119728672
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 51090234
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 42047243
(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 52503874
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 52718261) is 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide is O=C(Cn1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1)NC1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is RCZKQNATDMVMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-13-3-1-12(2-4-13)18(7-8-18)17(25)22-15-9-20-23(10-15)11-16(24)21-14-5-6-14/h1-4,9-10,14H,5-8,11H2,(H,21,24)(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 52718261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).