2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine

C15H20N4 — CID 69311321

IUPAC2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
SMILESNC(Cc1ccn(-c2ccccc2)n1)C1CCCN1
InChIInChI=1S/C15H20N4/c16-14(15-7-4-9-17-15)11-12-8-10-19(18-12)13-5-2-1-3-6-13/h1-3,5-6,8,10,14-15,17H,4,7,9,11,16H2
InChIKeyQPQOZQUOXUSTDN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.49
Rot. Bonds4

About 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine

2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine (PubChem CID 69311321) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
PubChem CID69311321
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
SMILESNC(Cc1ccn(-c2ccccc2)n1)C1CCCN1
InChIInChI=1S/C15H20N4/c16-14(15-7-4-9-17-15)11-12-8-10-19(18-12)13-5-2-1-3-6-13/h1-3,5-6,8,10,14-15,17H,4,7,9,11,16H2
InChIKeyQPQOZQUOXUSTDN-UHFFFAOYSA-N
XLogP1.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63256045
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
CID 106640582
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 63637300
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
2-(1-phenylpyrazol-3-yl)ethanamine
CID 47003016
N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 154865510
N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913002
N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
CID 83013966
1-cyclopropyl-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116652931

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine?
The IUPAC name of 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine (CID 69311321) is 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine?
The canonical SMILES for 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine is NC(Cc1ccn(-c2ccccc2)n1)C1CCCN1.
What is the InChIKey of 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine?
The InChIKey is QPQOZQUOXUSTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-14(15-7-4-9-17-15)11-12-8-10-19(18-12)13-5-2-1-3-6-13/h1-3,5-6,8,10,14-15,17H,4,7,9,11,16H2.
What are the key properties of 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine?
2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 69311321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).