N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine

C15H16N4 — CID 100703434

IUPACN,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine
SMILESCN(Cc1cnc2ccccc2c1)c1cnn(C)c1
InChIInChI=1S/C15H16N4/c1-18(14-9-17-19(2)11-14)10-12-7-13-5-3-4-6-15(13)16-8-12/h3-9,11H,10H2,1-2H3
InChIKeyJTCSDFCUTANIJB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.60
Rot. Bonds3

About N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine

N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine (PubChem CID 100703434) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine
PubChem CID100703434
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine
SMILESCN(Cc1cnc2ccccc2c1)c1cnn(C)c1
InChIInChI=1S/C15H16N4/c1-18(14-9-17-19(2)11-14)10-12-7-13-5-3-4-6-15(13)16-8-12/h3-9,11H,10H2,1-2H3
InChIKeyJTCSDFCUTANIJB-UHFFFAOYSA-N
XLogP2.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine (CID 100703434) is N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine is CN(Cc1cnc2ccccc2c1)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine?
The InChIKey is JTCSDFCUTANIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-18(14-9-17-19(2)11-14)10-12-7-13-5-3-4-6-15(13)16-8-12/h3-9,11H,10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine?
N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 100703434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).