[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C18H24N4 — CID 117477778

IUPAC[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C18H24N4/c1-21-12-13(11-19)9-18(21)15-3-2-4-16(10-15)22-17(7-8-20-22)14-5-6-14/h2-4,7-8,10,13-14,18H,5-6,9,11-12,19H2,1H3
InChIKeyGKUCSICUOVIOOK-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.70
Rot. Bonds4

About [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117477778) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117477778
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C18H24N4/c1-21-12-13(11-19)9-18(21)15-3-2-4-16(10-15)22-17(7-8-20-22)14-5-6-14/h2-4,7-8,10,13-14,18H,5-6,9,11-12,19H2,1H3
InChIKeyGKUCSICUOVIOOK-UHFFFAOYSA-N
XLogP2.70
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429401
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
CID 117438738
[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117341076
[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-1-methylurea
CID 117410952
5-cyclopropyl-1-phenylpyrazole
CID 67206706
1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
CID 117353584
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]ethane-1,2-diol
CID 117379648

Frequently Asked Questions

What is the IUPAC name of [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117477778) is [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cccc(-n2nccc2C2CC2)c1.
What is the InChIKey of [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GKUCSICUOVIOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-21-12-13(11-19)9-18(21)15-3-2-4-16(10-15)22-17(7-8-20-22)14-5-6-14/h2-4,7-8,10,13-14,18H,5-6,9,11-12,19H2,1H3.
What are the key properties of [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 296.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117477778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).