3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C11H18N4O — CID 63138545

IUPAC3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cn[nH]c2)CCNC1
InChIInChI=1S/C11H18N4O/c1-2-3-11(4-5-12-8-11)10(16)15-9-6-13-14-7-9/h6-7,12H,2-5,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZTRXIWBHJBXJFA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.13
Rot. Bonds4

About 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63138545) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID63138545
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cn[nH]c2)CCNC1
InChIInChI=1S/C11H18N4O/c1-2-3-11(4-5-12-8-11)10(16)15-9-6-13-14-7-9/h6-7,12H,2-5,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZTRXIWBHJBXJFA-UHFFFAOYSA-N
XLogP1.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 131020629
3-methyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide;hydrochloride
CID 119944674
1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80588422
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
CID 63139510
1-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130688568
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(1-ethylpyrazol-4-yl)-3-propylpiperidine-3-carboxamide
CID 55166040
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 63138545) is 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cn[nH]c2)CCNC1.
What is the InChIKey of 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZTRXIWBHJBXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-11(4-5-12-8-11)10(16)15-9-6-13-14-7-9/h6-7,12H,2-5,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63138545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).