N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

C17H29N5O2 — CID 71999415

IUPACN-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCc1cc(NC(=O)[C@@H](NC(=O)N2CCCC2)C(C)CC)n(C)n1
InChIInChI=1S/C17H29N5O2/c1-5-12(3)15(19-17(24)22-9-7-8-10-22)16(23)18-14-11-13(6-2)20-21(14)4/h11-12,15H,5-10H2,1-4H3,(H,18,23)(H,19,24)/t12?,15-/m0/s1
InChIKeyTZPSPHRWWLCDQJ-CVRLYYSRSA-N
MW335.45 g/mol
LogP2.14
Rot. Bonds6

About N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 71999415) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID71999415
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCc1cc(NC(=O)[C@@H](NC(=O)N2CCCC2)C(C)CC)n(C)n1
InChIInChI=1S/C17H29N5O2/c1-5-12(3)15(19-17(24)22-9-7-8-10-22)16(23)18-14-11-13(6-2)20-21(14)4/h11-12,15H,5-10H2,1-4H3,(H,18,23)(H,19,24)/t12?,15-/m0/s1
InChIKeyTZPSPHRWWLCDQJ-CVRLYYSRSA-N
XLogP2.14
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (CID 71999415) is N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is CCc1cc(NC(=O)[C@@H](NC(=O)N2CCCC2)C(C)CC)n(C)n1.
What is the InChIKey of N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is TZPSPHRWWLCDQJ-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-12(3)15(19-17(24)22-9-7-8-10-22)16(23)18-14-11-13(6-2)20-21(14)4/h11-12,15H,5-10H2,1-4H3,(H,18,23)(H,19,24)/t12?,15-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71999415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).