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

C14H19N5 — CID 141333654

IUPACN-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine
SMILESNc1[nH]ncc1-c1ccc(NC2CCCNC2)cc1
InChIInChI=1S/C14H19N5/c15-14-13(9-17-19-14)10-3-5-11(6-4-10)18-12-2-1-7-16-8-12/h3-6,9,12,16,18H,1-2,7-8H2,(H3,15,17,19)
InChIKeyAGZSYSGWPDUHCJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.82
Rot. Bonds3

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

N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine (PubChem CID 141333654) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine
PubChem CID141333654
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine
SMILESNc1[nH]ncc1-c1ccc(NC2CCCNC2)cc1
InChIInChI=1S/C14H19N5/c15-14-13(9-17-19-14)10-3-5-11(6-4-10)18-12-2-1-7-16-8-12/h3-6,9,12,16,18H,1-2,7-8H2,(H3,15,17,19)
InChIKeyAGZSYSGWPDUHCJ-UHFFFAOYSA-N
XLogP1.82
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine?
The IUPAC name of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine (CID 141333654) is N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine.
What is the SMILES notation for N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine?
The canonical SMILES for N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine is Nc1[nH]ncc1-c1ccc(NC2CCCNC2)cc1.
What is the InChIKey of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine?
The InChIKey is AGZSYSGWPDUHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-14-13(9-17-19-14)10-3-5-11(6-4-10)18-12-2-1-7-16-8-12/h3-6,9,12,16,18H,1-2,7-8H2,(H3,15,17,19).
What are the key properties of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine?
N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]piperidin-3-amine is sourced from PubChem (CID 141333654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).