N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C24H31N5 — CID 45182675

IUPACN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H31N5/c1-18(23-13-14-25-17-26-23)28(2)15-22-16-29(3)27-24(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-14,16-19H,4-8,15H2,1-3H3
InChIKeyVIVDXQJMDBBGIL-UHFFFAOYSA-N
MW389.55 g/mol
LogP5.12
Rot. Bonds6

About N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 45182675) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID45182675
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H31N5/c1-18(23-13-14-25-17-26-23)28(2)15-22-16-29(3)27-24(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-14,16-19H,4-8,15H2,1-3H3
InChIKeyVIVDXQJMDBBGIL-UHFFFAOYSA-N
XLogP5.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.55
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45241479
3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 42345611
(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25288969
(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42462698
2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
CID 95868809
(1S)-N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42095542
4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
CID 45177785
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
CID 99946876
(1R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99930753
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
(1S)-N-methyl-N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-1-pyrimidin-4-ylethanamine
CID 99930677

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 45182675) is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is CC(c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is VIVDXQJMDBBGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-18(23-13-14-25-17-26-23)28(2)15-22-16-29(3)27-24(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-14,16-19H,4-8,15H2,1-3H3.
What are the key properties of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 389.55 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 45182675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).