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

C13H22N4O — CID 63142468

IUPAC3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H22N4O/c1-10-11(8-16-17-10)4-3-6-15-12(18)13(2)5-7-14-9-13/h8,14H,3-7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySEABUNKIEUQASO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.77
Rot. Bonds5

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

3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 63142468) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID63142468
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H22N4O/c1-10-11(8-16-17-10)4-3-6-15-12(18)13(2)5-7-14-9-13/h8,14H,3-7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySEABUNKIEUQASO-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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

1-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclopentane-1-carboxamide
CID 62038572
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide
CID 81003927
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide
CID 62038574
2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide
CID 62040951
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 114084882
5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
CID 107374698
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide (CID 63142468) is 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide is Cc1[nH]ncc1CCCNC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is SEABUNKIEUQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-11(8-16-17-10)4-3-6-15-12(18)13(2)5-7-14-9-13/h8,14H,3-7,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide?
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63142468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).