4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine

C19H20ClN5 — CID 44591677

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H20ClN5/c20-14-8-6-13(7-9-14)18-16(12-22-25-18)17-10-11-21-19(24-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)(H,21,23,24)
InChIKeySBOKOJHOEHDGDX-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.93
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine (PubChem CID 44591677) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine
PubChem CID44591677
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine
SMILESClc1ccc(-c2[nH]ncc2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H20ClN5/c20-14-8-6-13(7-9-14)18-16(12-22-25-18)17-10-11-21-19(24-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)(H,21,23,24)
InChIKeySBOKOJHOEHDGDX-UHFFFAOYSA-N
XLogP4.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Casein Kinase inhibitor A51
CID 126558497
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949091
5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949248
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine (CID 44591677) is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine is Clc1ccc(-c2[nH]ncc2-c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine?
The InChIKey is SBOKOJHOEHDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c20-14-8-6-13(7-9-14)18-16(12-22-25-18)17-10-11-21-19(24-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)(H,21,23,24).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine?
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine has a molecular weight of 353.86 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclohexylpyrimidin-2-amine is sourced from PubChem (CID 44591677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).