N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide

C25H27N7O — CID 72943282

IUPACN-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(n2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)CC1
InChIInChI=1S/C25H27N7O/c1-17(33)30-23-6-8-24(9-7-23)32-16-22(14-29-32)20-11-26-25(27-12-20)19-5-3-4-18(10-19)21-13-28-31(2)15-21/h3-5,10-16,23-24H,6-9H2,1-2H3,(H,30,33)
InChIKeyGOBWRPQVNCLKGH-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide

N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide (PubChem CID 72943282) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide
PubChem CID72943282
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(n2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)CC1
InChIInChI=1S/C25H27N7O/c1-17(33)30-23-6-8-24(9-7-23)32-16-22(14-29-32)20-11-26-25(27-12-20)19-5-3-4-18(10-19)21-13-28-31(2)15-21/h3-5,10-16,23-24H,6-9H2,1-2H3,(H,30,33)
InChIKeyGOBWRPQVNCLKGH-UHFFFAOYSA-N
XLogP4.03
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide (CID 72943282) is N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(n2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)CC1.
What is the InChIKey of N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide?
The InChIKey is GOBWRPQVNCLKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17(33)30-23-6-8-24(9-7-23)32-16-22(14-29-32)20-11-26-25(27-12-20)19-5-3-4-18(10-19)21-13-28-31(2)15-21/h3-5,10-16,23-24H,6-9H2,1-2H3,(H,30,33).
What are the key properties of N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide?
N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide has a molecular weight of 441.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 72943282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).