N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

C16H21N5O — CID 121094912

IUPACN-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H21N5O/c22-16(18-15-5-2-1-3-6-15)20-12-9-19(10-13-20)11-14-21-8-4-7-17-21/h1-8H,9-14H2,(H,18,22)
InChIKeyRQGDAQIKWYXDTO-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.73
Rot. Bonds4

About N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 121094912) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID121094912
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H21N5O/c22-16(18-15-5-2-1-3-6-15)20-12-9-19(10-13-20)11-14-21-8-4-7-17-21/h1-8H,9-14H2,(H,18,22)
InChIKeyRQGDAQIKWYXDTO-UHFFFAOYSA-N
XLogP1.73
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
(E)-3-phenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 90508586
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 53145455
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424
(2R)-2-phenyl-1-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 95985415
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (CID 121094912) is N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is RQGDAQIKWYXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(18-15-5-2-1-3-6-15)20-12-9-19(10-13-20)11-14-21-8-4-7-17-21/h1-8H,9-14H2,(H,18,22).
What are the key properties of N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 121094912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).