N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C16H20ClN5O — CID 86795696

IUPACN-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C16H20ClN5O/c1-12-4-3-5-14(17)15(12)19-16(23)22-8-6-21(7-9-22)13-10-18-20(2)11-13/h3-5,10-11H,6-9H2,1-2H3,(H,19,23)
InChIKeyAOYQAQDJAZNPIQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.74
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 86795696) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID86795696
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C16H20ClN5O/c1-12-4-3-5-14(17)15(12)19-16(23)22-8-6-21(7-9-22)13-10-18-20(2)11-13/h3-5,10-11H,6-9H2,1-2H3,(H,19,23)
InChIKeyAOYQAQDJAZNPIQ-UHFFFAOYSA-N
XLogP2.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide
CID 91221530
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 96563116
(3R)-N-(2-chloro-6-methylphenyl)-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99634516
N-(2-chloro-6-methylphenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide
CID 7176528
N-(3-methyl-4-nitrophenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 75524371

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 86795696) is N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is Cc1cccc(Cl)c1NC(=O)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is AOYQAQDJAZNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-12-4-3-5-14(17)15(12)19-16(23)22-8-6-21(7-9-22)13-10-18-20(2)11-13/h3-5,10-11H,6-9H2,1-2H3,(H,19,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 86795696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).