1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine

C17H20N4 — CID 43790946

IUPAC1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
SMILESC#CCN1CCC(Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C17H20N4/c1-2-10-21-11-7-15(8-12-21)19-16-5-3-4-14(13-16)17-6-9-18-20-17/h1,3-6,9,13,15,19H,7-8,10-12H2,(H,18,20)
InChIKeyJMJQURUUEMWPJU-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.59
Rot. Bonds4

About 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine

1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine (PubChem CID 43790946) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
PubChem CID43790946
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
SMILESC#CCN1CCC(Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C17H20N4/c1-2-10-21-11-7-15(8-12-21)19-16-5-3-4-14(13-16)17-6-9-18-20-17/h1,3-6,9,13,15,19H,7-8,10-12H2,(H,18,20)
InChIKeyJMJQURUUEMWPJU-UHFFFAOYSA-N
XLogP2.59
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43745344
N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
CID 43745342
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]azepan-4-amine
CID 65070382
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755521
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 79730682
N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
CID 43790640
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline
CID 80705471
1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 81466627
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine (CID 43790946) is 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine is C#CCN1CCC(Nc2cccc(-c3ccn[nH]3)c2)CC1.
What is the InChIKey of 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
The InChIKey is JMJQURUUEMWPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-10-21-11-7-15(8-12-21)19-16-5-3-4-14(13-16)17-6-9-18-20-17/h1,3-6,9,13,15,19H,7-8,10-12H2,(H,18,20).
What are the key properties of 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43790946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).