[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine

C15H20N4 — CID 81492961

IUPAC[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4/c16-11-15-3-1-9-18(15)12-13-4-6-14(7-5-13)19-10-2-8-17-19/h2,4-8,10,15H,1,3,9,11-12,16H2
InChIKeyOXWWKPKQDWAKCJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.80
Rot. Bonds4

About [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 81492961) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID81492961
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4/c16-11-15-3-1-9-18(15)12-13-4-6-14(7-5-13)19-10-2-8-17-19/h2,4-8,10,15H,1,3,9,11-12,16H2
InChIKeyOXWWKPKQDWAKCJ-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
1-[(4-pyrazol-1-ylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681260
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(2S)-2-(1,3-dioxolan-2-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 95270190
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 95611766
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 43054216

Frequently Asked Questions

What is the IUPAC name of [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine (CID 81492961) is [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is OXWWKPKQDWAKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-11-15-3-1-9-18(15)12-13-4-6-14(7-5-13)19-10-2-8-17-19/h2,4-8,10,15H,1,3,9,11-12,16H2.
What are the key properties of [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 81492961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).