1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine

C17H24N4 — CID 43435063

IUPAC1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(Cn1cccn1)NCc1ccccc1N1CCCC1
InChIInChI=1S/C17H24N4/c1-15(14-21-12-6-9-19-21)18-13-16-7-2-3-8-17(16)20-10-4-5-11-20/h2-3,6-9,12,15,18H,4-5,10-11,13-14H2,1H3
InChIKeyRKOZOAVJUMUSAH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.66
Rot. Bonds6

About 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine

1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine (PubChem CID 43435063) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
PubChem CID43435063
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(Cn1cccn1)NCc1ccccc1N1CCCC1
InChIInChI=1S/C17H24N4/c1-15(14-21-12-6-9-19-21)18-13-16-7-2-3-8-17(16)20-10-4-5-11-20/h2-3,6-9,12,15,18H,4-5,10-11,13-14H2,1H3
InChIKeyRKOZOAVJUMUSAH-UHFFFAOYSA-N
XLogP2.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-morpholin-4-ylphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95275011
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 93276562
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
CID 62117804
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 62095637
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine (CID 43435063) is 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine is CC(Cn1cccn1)NCc1ccccc1N1CCCC1.
What is the InChIKey of 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is RKOZOAVJUMUSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-15(14-21-12-6-9-19-21)18-13-16-7-2-3-8-17(16)20-10-4-5-11-20/h2-3,6-9,12,15,18H,4-5,10-11,13-14H2,1H3.
What are the key properties of 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43435063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).