3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile

C15H17N5 — CID 114697653

IUPAC3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(N3CCC(N)CC3)n[nH]2)c1
InChIInChI=1S/C15H17N5/c16-10-11-2-1-3-12(8-11)14-9-15(19-18-14)20-6-4-13(17)5-7-20/h1-3,8-9,13H,4-7,17H2,(H,18,19)
InChIKeySIDCUPNFQVVYSU-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.88
Rot. Bonds2

About 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile

3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile (PubChem CID 114697653) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
PubChem CID114697653
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(N3CCC(N)CC3)n[nH]2)c1
InChIInChI=1S/C15H17N5/c16-10-11-2-1-3-12(8-11)14-9-15(19-18-14)20-6-4-13(17)5-7-20/h1-3,8-9,13H,4-7,17H2,(H,18,19)
InChIKeySIDCUPNFQVVYSU-UHFFFAOYSA-N
XLogP1.88
TPSA81.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 91811818
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-cyanobenzamide
CID 99741515
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 112707623
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
3-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]benzonitrile
CID 102800422
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10089791
1-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697742

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile?
The IUPAC name of 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile (CID 114697653) is 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile?
The canonical SMILES for 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile is N#Cc1cccc(-c2cc(N3CCC(N)CC3)n[nH]2)c1.
What is the InChIKey of 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile?
The InChIKey is SIDCUPNFQVVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-10-11-2-1-3-12(8-11)14-9-15(19-18-14)20-6-4-13(17)5-7-20/h1-3,8-9,13H,4-7,17H2,(H,18,19).
What are the key properties of 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile?
3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile is sourced from PubChem (CID 114697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).