3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine

C19H21ClN4 — CID 141026666

IUPAC3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C19H21ClN4/c1-24(2)13-3-4-17-18(14-9-11-21-12-10-14)19(23-22-17)15-5-7-16(20)8-6-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyCGYUVMIRWOWNNM-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.29
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine

3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine (PubChem CID 141026666) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine
PubChem CID141026666
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C19H21ClN4/c1-24(2)13-3-4-17-18(14-9-11-21-12-10-14)19(23-22-17)15-5-7-16(20)8-6-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyCGYUVMIRWOWNNM-UHFFFAOYSA-N
XLogP4.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
CID 69370736
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
CID 22953896
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
CID 22037680
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine
CID 22953900
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 19930485
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide
CID 22953876
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylhydrazine
CID 174435150

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine (CID 141026666) is 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is CGYUVMIRWOWNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-24(2)13-3-4-17-18(14-9-11-21-12-10-14)19(23-22-17)15-5-7-16(20)8-6-15/h5-12H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine?
3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 340.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 141026666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).