1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine

C15H19ClN4 — CID 166231151

IUPAC1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine
SMILESCn1ncc(Cl)c1CN1CCC(Nc2ccccc2)C1
InChIInChI=1S/C15H19ClN4/c1-19-15(14(16)9-17-19)11-20-8-7-13(10-20)18-12-5-3-2-4-6-12/h2-6,9,13,18H,7-8,10-11H2,1H3
InChIKeyDBIXYGPITYOWOA-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.76
Rot. Bonds4

About 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine

1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine (PubChem CID 166231151) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine
PubChem CID166231151
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine
SMILESCn1ncc(Cl)c1CN1CCC(Nc2ccccc2)C1
InChIInChI=1S/C15H19ClN4/c1-19-15(14(16)9-17-19)11-20-8-7-13(10-20)18-12-5-3-2-4-6-12/h2-6,9,13,18H,7-8,10-11H2,1H3
InChIKeyDBIXYGPITYOWOA-UHFFFAOYSA-N
XLogP2.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-1-propan-2-ylpyrazol-4-amine
CID 62904412
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842456
(3aR,6aS)-5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120846045
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
1-(3-anilinopyrrolidin-1-yl)butan-2-ol
CID 111544263
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine (CID 166231151) is 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine is Cn1ncc(Cl)c1CN1CCC(Nc2ccccc2)C1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine?
The InChIKey is DBIXYGPITYOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19-15(14(16)9-17-19)11-20-8-7-13(10-20)18-12-5-3-2-4-6-12/h2-6,9,13,18H,7-8,10-11H2,1H3.
What are the key properties of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine?
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine has a molecular weight of 290.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 166231151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).