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

C15H19N5O2 — CID 51084993

IUPAC4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H19N5O2/c21-14-4-2-1-3-13(14)19-7-9-20(10-8-19)15(22)16-11-12-5-6-17-18-12/h1-6,21H,7-11H2,(H,16,22)(H,17,18)
InChIKeyNEPDGDCITBOFFN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.15
Rot. Bonds3

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

4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084993) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
PubChem CID51084993
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H19N5O2/c21-14-4-2-1-3-13(14)19-7-9-20(10-8-19)15(22)16-11-12-5-6-17-18-12/h1-6,21H,7-11H2,(H,16,22)(H,17,18)
InChIKeyNEPDGDCITBOFFN-UHFFFAOYSA-N
XLogP1.15
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185827
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003296
4-(1,3-benzodioxol-5-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084994
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084970
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003951
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99825094
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 132969939

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (CID 51084993) is 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccn[nH]1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NEPDGDCITBOFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14-4-2-1-3-13(14)19-7-9-20(10-8-19)15(22)16-11-12-5-6-17-18-12/h1-6,21H,7-11H2,(H,16,22)(H,17,18).
What are the key properties of 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).