N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C19H17ClF3N7O — CID 158162896

IUPACN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17ClF3N7O/c20-13-2-4-14(5-3-13)30-16(19(21,22)23)15(12-26-30)27-18(31)29-10-8-28(9-11-29)17-24-6-1-7-25-17/h1-7,12H,8-11H2,(H,27,31)
InChIKeyFWMMRXWOTPVTLK-UHFFFAOYSA-N
MW451.84 g/mol
LogP3.69
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 158162896) has the molecular formula C19H17ClF3N7O and a molecular weight of 451.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID158162896
Molecular FormulaC19H17ClF3N7O
Molecular Weight451.84 g/mol
Exact Mass451.11
IUPAC NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17ClF3N7O/c20-13-2-4-14(5-3-13)30-16(19(21,22)23)15(12-26-30)27-18(31)29-10-8-28(9-11-29)17-24-6-1-7-25-17/h1-7,12H,8-11H2,(H,27,31)
InChIKeyFWMMRXWOTPVTLK-UHFFFAOYSA-N
XLogP3.69
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 91507780
[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 24663755
1-(3-chlorophenyl)-3-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 21105015
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide
CID 21105216
1-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3,4-dichlorophenyl)urea
CID 21104983
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37281544
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 138042294
1-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(oxolan-2-ylmethyl)urea
CID 21104998
N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 41287206
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
1-[2-(4-aminophenyl)ethyl]-3-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 21105002

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 158162896) is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is FWMMRXWOTPVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N7O/c20-13-2-4-14(5-3-13)30-16(19(21,22)23)15(12-26-30)27-18(31)29-10-8-28(9-11-29)17-24-6-1-7-25-17/h1-7,12H,8-11H2,(H,27,31).
What are the key properties of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 451.84 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 158162896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).