N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide

C19H23N5O2 — CID 22177019

About N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide

N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 22177019) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
• PubChem CID: 22177019
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
• SMILES: O=C(Cc1ccc(NC(=O)N2CCCC2)cc1)Nc1cc(C2CC2)[nH]n1
• InChI: InChI=1S/C19H23N5O2/c25-18(21-17-12-16(22-23-17)14-5-6-14)11-13-3-7-15(8-4-13)20-19(26)24-9-1-2-10-24/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,20,26)(H2,21,22,23,25)
• InChIKey: RFSKCJSFVSTKPR-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?

The IUPAC name of N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide (CID 22177019) is N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?

The canonical SMILES for N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide is O=C(Cc1ccc(NC(=O)N2CCCC2)cc1)Nc1cc(C2CC2)[nH]n1.

What is the InChIKey of N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?

The InChIKey is RFSKCJSFVSTKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(21-17-12-16(22-23-17)14-5-6-14)11-13-3-7-15(8-4-13)20-19(26)24-9-1-2-10-24/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,20,26)(H2,21,22,23,25).

What are the key properties of N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?

N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 22177019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).