4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

C15H18ClN5O — CID 51084958

IUPAC4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClN5O/c16-13-3-1-2-4-14(13)20-7-9-21(10-8-20)15(22)17-11-12-5-6-18-19-12/h1-6H,7-11H2,(H,17,22)(H,18,19)
InChIKeyHLWVCTREERHOBE-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.09
Rot. Bonds3

About 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084958) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
PubChem CID51084958
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClN5O/c16-13-3-1-2-4-14(13)20-7-9-21(10-8-20)15(22)17-11-12-5-6-18-19-12/h1-6H,7-11H2,(H,17,22)(H,18,19)
InChIKeyHLWVCTREERHOBE-UHFFFAOYSA-N
XLogP2.09
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (CID 51084958) is 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccn[nH]1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HLWVCTREERHOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-13-3-1-2-4-14(13)20-7-9-21(10-8-20)15(22)17-11-12-5-6-18-19-12/h1-6H,7-11H2,(H,17,22)(H,18,19).
What are the key properties of 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide has a molecular weight of 319.80 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).