N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide

C23H27ClN6O — CID 53069471

IUPACN-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H27ClN6O/c1-16-18(10-11-23(31)27-20-9-5-4-8-19(20)24)17(2)30(28-16)22-14-21(25-15-26-22)29-12-6-3-7-13-29/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,27,31)
InChIKeyDKFQTYJOSCFHDR-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.49
Rot. Bonds6

About N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide

N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide (PubChem CID 53069471) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
PubChem CID53069471
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC NameN-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H27ClN6O/c1-16-18(10-11-23(31)27-20-9-5-4-8-19(20)24)17(2)30(28-16)22-14-21(25-15-26-22)29-12-6-3-7-13-29/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,27,31)
InChIKeyDKFQTYJOSCFHDR-UHFFFAOYSA-N
XLogP4.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53069462
N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069503
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
CID 53069421
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 53069430
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propan-1-one
CID 53069406
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069402
N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53006375
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide (CID 53069471) is N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide is Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
The InChIKey is DKFQTYJOSCFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-16-18(10-11-23(31)27-20-9-5-4-8-19(20)24)17(2)30(28-16)22-14-21(25-15-26-22)29-12-6-3-7-13-29/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,27,31).
What are the key properties of N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide?
N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide has a molecular weight of 438.96 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53069471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).