1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

C11H19N5O — CID 114081781

IUPAC1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(CCn2ccc(N)n2)C1
InChIInChI=1S/C11H19N5O/c1-11(10(13)17)3-5-15(8-11)6-7-16-4-2-9(12)14-16/h2,4H,3,5-8H2,1H3,(H2,12,14)(H2,13,17)
InChIKeyLRLUPUCFHPJHHI-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.34
Rot. Bonds4

About 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 114081781) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID114081781
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(CCn2ccc(N)n2)C1
InChIInChI=1S/C11H19N5O/c1-11(10(13)17)3-5-15(8-11)6-7-16-4-2-9(12)14-16/h2,4H,3,5-8H2,1H3,(H2,12,14)(H2,13,17)
InChIKeyLRLUPUCFHPJHHI-UHFFFAOYSA-N
XLogP-0.34
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrazol-3-amine
CID 63318013
1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine
CID 107390668
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]pyrazol-3-amine
CID 63315886
4-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpiperazin-2-one
CID 64680893
1-[(3-amino-2-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081797
1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
CID 55206182
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081807
1-[2-(3-aminopyrazol-1-yl)ethyl]-4-methylpiperidin-3-ol
CID 102955985
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 114082271
3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 114082270
3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
CID 90482953
ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate
CID 107876855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide (CID 114081781) is 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(CCn2ccc(N)n2)C1.
What is the InChIKey of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is LRLUPUCFHPJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(10(13)17)3-5-15(8-11)6-7-16-4-2-9(12)14-16/h2,4H,3,5-8H2,1H3,(H2,12,14)(H2,13,17).
What are the key properties of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114081781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).