4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide

C19H25N5O3 — CID 55835475

IUPAC4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1
InChIInChI=1S/C19H25N5O3/c1-15(25)16-3-5-18(6-4-16)22-7-9-23(10-8-22)19(26)21-17-13-20-24(14-17)11-12-27-2/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)
InChIKeyNEWGTJQELPPJOW-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.09
Rot. Bonds6

About 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide

4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 55835475) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID55835475
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1
InChIInChI=1S/C19H25N5O3/c1-15(25)16-3-5-18(6-4-16)22-7-9-23(10-8-22)19(26)21-17-13-20-24(14-17)11-12-27-2/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)
InChIKeyNEWGTJQELPPJOW-UHFFFAOYSA-N
XLogP2.09
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 118770158
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 94156989
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 55835858
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4-(4-fluorophenyl)-N-[4-(2-methoxyethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 56763318
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
CID 51115588
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide (CID 55835475) is 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide is COCCn1cc(NC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is NEWGTJQELPPJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-15(25)16-3-5-18(6-4-16)22-7-9-23(10-8-22)19(26)21-17-13-20-24(14-17)11-12-27-2/h3-6,13-14H,7-12H2,1-2H3,(H,21,26).
What are the key properties of 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 55835475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).