N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C18H23N5O2 — CID 84598100

IUPACN-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-12-17(13(2)22-21-12)15-9-6-10-23(15)18(25)19-11-16(24)20-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyPCTRSEOVVZMDEF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.51
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 84598100) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID84598100
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-12-17(13(2)22-21-12)15-9-6-10-23(15)18(25)19-11-16(24)20-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyPCTRSEOVVZMDEF-UHFFFAOYSA-N
XLogP2.51
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 84598100) is N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1C1CCCN1C(=O)NCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is PCTRSEOVVZMDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-17(13(2)22-21-12)15-9-6-10-23(15)18(25)19-11-16(24)20-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,19,25)(H,20,24)(H,21,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 84598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).