N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide

C18H23N5O3 — CID 166205678

IUPACN-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NCCNC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C18H23N5O3/c1-26-14-5-2-4-13(12-14)16-6-3-11-23(16)18(25)20-10-9-19-17(24)15-7-8-21-22-15/h2,4-5,7-8,12,16H,3,6,9-11H2,1H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyQMQYAJXDLZLKKD-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.69
Rot. Bonds6

About N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 166205678) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID166205678
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NCCNC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C18H23N5O3/c1-26-14-5-2-4-13(12-14)16-6-3-11-23(16)18(25)20-10-9-19-17(24)15-7-8-21-22-15/h2,4-5,7-8,12,16H,3,6,9-11H2,1H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyQMQYAJXDLZLKKD-UHFFFAOYSA-N
XLogP1.69
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 126443026

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide (CID 166205678) is N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide is COc1cccc(C2CCCN2C(=O)NCCNC(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QMQYAJXDLZLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-26-14-5-2-4-13(12-14)16-6-3-11-23(16)18(25)20-10-9-19-17(24)15-7-8-21-22-15/h2,4-5,7-8,12,16H,3,6,9-11H2,1H3,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166205678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).