N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide

C18H21ClN4O2 — CID 55873986

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-22-12-13(11-20-22)4-7-17(24)21-16-10-14(19)5-6-15(16)18(25)23-8-2-3-9-23/h5-6,10-12H,2-4,7-9H2,1H3,(H,21,24)
InChIKeyBLGSRBBGPJZXMG-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.88
Rot. Bonds5

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 55873986) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID55873986
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-22-12-13(11-20-22)4-7-17(24)21-16-10-14(19)5-6-15(16)18(25)23-8-2-3-9-23/h5-6,10-12H,2-4,7-9H2,1H3,(H,21,24)
InChIKeyBLGSRBBGPJZXMG-UHFFFAOYSA-N
XLogP2.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 55777037
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131913073
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55777121
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
(2,4-dichlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331489
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 55873986) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cn1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is BLGSRBBGPJZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-22-12-13(11-20-22)4-7-17(24)21-16-10-14(19)5-6-15(16)18(25)23-8-2-3-9-23/h5-6,10-12H,2-4,7-9H2,1H3,(H,21,24).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 360.85 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55873986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).