4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide

C16H20ClN5O2 — CID 136559298

IUPAC4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)n1
InChIInChI=1S/C16H20ClN5O2/c1-20-14(11-15(19-20)24-2)18-16(23)22-8-6-21(7-9-22)13-5-3-4-12(17)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,18,23)
InChIKeyMLFVAOXTBLZXHP-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.44
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide (PubChem CID 136559298) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
PubChem CID136559298
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)n1
InChIInChI=1S/C16H20ClN5O2/c1-20-14(11-15(19-20)24-2)18-16(23)22-8-6-21(7-9-22)13-5-3-4-12(17)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,18,23)
InChIKeyMLFVAOXTBLZXHP-UHFFFAOYSA-N
XLogP2.44
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
CID 108813124
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 18663154
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide (CID 136559298) is 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)n1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide?
The InChIKey is MLFVAOXTBLZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-20-14(11-15(19-20)24-2)18-16(23)22-8-6-21(7-9-22)13-5-3-4-12(17)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,18,23).
What are the key properties of 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136559298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).