N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine

C17H18N4 — CID 141005813

IUPACN,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine
SMILESCc1[nH]nc(-c2ccccc2)c1-c1ccncc1N(C)C
InChIInChI=1S/C17H18N4/c1-12-16(14-9-10-18-11-15(14)21(2)3)17(20-19-12)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)
InChIKeyZWNDEKMSCSRKSS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.51
Rot. Bonds3

About N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine

N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine (PubChem CID 141005813) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine
PubChem CID141005813
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine
SMILESCc1[nH]nc(-c2ccccc2)c1-c1ccncc1N(C)C
InChIInChI=1S/C17H18N4/c1-12-16(14-9-10-18-11-15(14)21(2)3)17(20-19-12)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)
InChIKeyZWNDEKMSCSRKSS-UHFFFAOYSA-N
XLogP3.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677569
4-hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile
CID 91973364
3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-1,2-thiazole
CID 135763157
3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 118961751
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037187
4-[3-(3-ethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037470
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole
CID 22037600
3-bromo-5-methyl-4-phenyl-1H-pyrazole
CID 67384969
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine?
The IUPAC name of N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine (CID 141005813) is N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine is Cc1[nH]nc(-c2ccccc2)c1-c1ccncc1N(C)C.
What is the InChIKey of N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine?
The InChIKey is ZWNDEKMSCSRKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-16(14-9-10-18-11-15(14)21(2)3)17(20-19-12)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine?
N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 141005813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).