N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide

C22H25N5O3 — CID 18799534

IUPACN-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(-n2ccc(NC(=O)N3CCN(c4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-19-9-8-18(16-20(19)30-2)27-11-10-21(24-27)23-22(28)26-14-12-25(13-15-26)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,28)
InChIKeyKTDVZAWQOCUWCH-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide

N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 18799534) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID18799534
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(-n2ccc(NC(=O)N3CCN(c4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-19-9-8-18(16-20(19)30-2)27-11-10-21(24-27)23-22(28)26-14-12-25(13-15-26)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,28)
InChIKeyKTDVZAWQOCUWCH-UHFFFAOYSA-N
XLogP3.24
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799531
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 113216629
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
methyl 3-(3,4-dimethoxyphenyl)-3-[(1-phenylpyrazol-3-yl)carbamoylamino]propanoate
CID 47032953
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide (CID 18799534) is N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide is COc1ccc(-n2ccc(NC(=O)N3CCN(c4ccccc4)CC3)n2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is KTDVZAWQOCUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-19-9-8-18(16-20(19)30-2)27-11-10-21(24-27)23-22(28)26-14-12-25(13-15-26)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,28).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 18799534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).