N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine

C14H14N4 — CID 166323588

IUPACN-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine
SMILESc1cnc2cc(CNCc3cn[nH]c3)ccc2c1
InChIInChI=1S/C14H14N4/c1-2-13-4-3-11(6-14(13)16-5-1)7-15-8-12-9-17-18-10-12/h1-6,9-10,15H,7-8H2,(H,17,18)
InChIKeyJNJVGHPQXMTCEB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.25
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine

N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine (PubChem CID 166323588) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine
PubChem CID166323588
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine
SMILESc1cnc2cc(CNCc3cn[nH]c3)ccc2c1
InChIInChI=1S/C14H14N4/c1-2-13-4-3-11(6-14(13)16-5-1)7-15-8-12-9-17-18-10-12/h1-6,9-10,15H,7-8H2,(H,17,18)
InChIKeyJNJVGHPQXMTCEB-UHFFFAOYSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(quinolin-7-ylmethylamino)methyl]-2H-isoquinolin-1-one
CID 166361094
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
2-quinolin-7-ylacetaldehyde
CID 22630864
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
1-(3-phenoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000596
N-ethyl-2-quinolin-7-ylethanamine
CID 81224928
N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
CID 62022596
7-[3-(1H-pyrazol-4-yl)-2-pyridinyl]quinoline
CID 137374004
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54896960
N-(1H-pyrazol-4-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
CID 63050204
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 60999901
N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
CID 104774020

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine (CID 166323588) is N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine is c1cnc2cc(CNCc3cn[nH]c3)ccc2c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine?
The InChIKey is JNJVGHPQXMTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-13-4-3-11(6-14(13)16-5-1)7-15-8-12-9-17-18-10-12/h1-6,9-10,15H,7-8H2,(H,17,18).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine?
N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 166323588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).