4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine

C15H20N4 — CID 103576557

IUPAC4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CC1N
InChIInChI=1S/C15H20N4/c1-12-9-18(11-15(12)16)10-13-3-5-14(6-4-13)19-8-2-7-17-19/h2-8,12,15H,9-11,16H2,1H3
InChIKeyHBQWHPBZGJQBBX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.65
Rot. Bonds3

About 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine

4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 103576557) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
PubChem CID103576557
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CC1N
InChIInChI=1S/C15H20N4/c1-12-9-18(11-15(12)16)10-13-3-5-14(6-4-13)19-8-2-7-17-19/h2-8,12,15H,9-11,16H2,1H3
InChIKeyHBQWHPBZGJQBBX-UHFFFAOYSA-N
XLogP1.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
CID 120909021
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 133127360
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
(1S,5R)-3-benzyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72881218
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 102784560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine (CID 103576557) is 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine is CC1CN(Cc2ccc(-n3cccn3)cc2)CC1N.
What is the InChIKey of 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is HBQWHPBZGJQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-9-18(11-15(12)16)10-13-3-5-14(6-4-13)19-8-2-7-17-19/h2-8,12,15H,9-11,16H2,1H3.
What are the key properties of 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine?
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103576557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).