(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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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 78924914
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
3-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782438
(3R)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 94338423
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 62039009
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-3-ylpropanamide
CID 62040266
(2S,3S)-2,3,4-trimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 97308171
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665

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).