N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

C16H18ClN5O2 — CID 71924052

IUPACN-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCn1cc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2=O)cn1
InChIInChI=1S/C16H18ClN5O2/c1-20-10-14(9-19-20)22-6-5-21(11-15(22)23)16(24)18-8-12-3-2-4-13(17)7-12/h2-4,7,9-10H,5-6,8,11H2,1H3,(H,18,24)
InChIKeyBBLZEZHYHRPVMC-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.63
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 71924052) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
PubChem CID71924052
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCn1cc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2=O)cn1
InChIInChI=1S/C16H18ClN5O2/c1-20-10-14(9-19-20)22-6-5-21(11-15(22)23)16(24)18-8-12-3-2-4-13(17)7-12/h2-4,7,9-10H,5-6,8,11H2,1H3,(H,18,24)
InChIKeyBBLZEZHYHRPVMC-UHFFFAOYSA-N
XLogP1.63
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434491
N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71976492
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109432590
N-[(4-fluoro-3-methylphenyl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435454
N'-[2-(3-chlorophenoxy)ethyl]-N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433061
N-[2-(3-chlorophenyl)-2-methylsulfanylethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433206
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 109435087
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969637
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433758
3-[[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 109435800

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (CID 71924052) is N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is Cn1cc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2=O)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is BBLZEZHYHRPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-20-10-14(9-19-20)22-6-5-21(11-15(22)23)16(24)18-8-12-3-2-4-13(17)7-12/h2-4,7,9-10H,5-6,8,11H2,1H3,(H,18,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 71924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).