(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide

C13H22N4O — CID 114084882

IUPAC(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C13H22N4O/c1-9-6-14-8-12(9)13(18)15-5-3-4-11-7-16-17-10(11)2/h7,9,12,14H,3-6,8H2,1-2H3,(H,15,18)(H,16,17)/t9-,12-/m1/s1
InChIKeyFSCKGYXIMOEUHE-BXKDBHETSA-N
MW250.35 g/mol
LogP0.62
Rot. Bonds5

About (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 114084882) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID114084882
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C13H22N4O/c1-9-6-14-8-12(9)13(18)15-5-3-4-11-7-16-17-10(11)2/h7,9,12,14H,3-6,8H2,1-2H3,(H,15,18)(H,16,17)/t9-,12-/m1/s1
InChIKeyFSCKGYXIMOEUHE-BXKDBHETSA-N
XLogP0.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide (CID 114084882) is (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide is Cc1[nH]ncc1CCCNC(=O)[C@@H]1CNC[C@H]1C.
What is the InChIKey of (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is FSCKGYXIMOEUHE-BXKDBHETSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-6-14-8-12(9)13(18)15-5-3-4-11-7-16-17-10(11)2/h7,9,12,14H,3-6,8H2,1-2H3,(H,15,18)(H,16,17)/t9-,12-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114084882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).