N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide

C13H20N4O2 — CID 145062856

IUPACN-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide
SMILESCCC(C)c1cc(C(=O)N2CCC(NC=O)C2)n[nH]1
InChIInChI=1S/C13H20N4O2/c1-3-9(2)11-6-12(16-15-11)13(19)17-5-4-10(7-17)14-8-18/h6,8-10H,3-5,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyUCPXSTVGDBLGIW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.88
Rot. Bonds5

About N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide

N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide (PubChem CID 145062856) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide
PubChem CID145062856
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide
SMILESCCC(C)c1cc(C(=O)N2CCC(NC=O)C2)n[nH]1
InChIInChI=1S/C13H20N4O2/c1-3-9(2)11-6-12(16-15-11)13(19)17-5-4-10(7-17)14-8-18/h6,8-10H,3-5,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyUCPXSTVGDBLGIW-UHFFFAOYSA-N
XLogP0.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 121279562
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-[(3,3,3-trifluoro-1-hydroxypropyl)amino]pyrrolidin-1-yl]methanone
CID 162575493
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279425
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166351781
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
CID 121279565
[(3R)-3-(2-methanimidoylanilino)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 145062606
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide (CID 145062856) is N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide is CCC(C)c1cc(C(=O)N2CCC(NC=O)C2)n[nH]1.
What is the InChIKey of N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide?
The InChIKey is UCPXSTVGDBLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-9(2)11-6-12(16-15-11)13(19)17-5-4-10(7-17)14-8-18/h6,8-10H,3-5,7H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide?
N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide has a molecular weight of 264.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide is sourced from PubChem (CID 145062856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).