N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide

C22H25N5O3 — CID 18799531

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-19-9-8-16(14-20(19)30-2)18-15-21(25-24-18)23-22(28)27-12-10-26(11-13-27)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,23,24,25,28)
InChIKeyCOLURQMQODAUTM-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.45
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide

N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 18799531) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID18799531
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1OC
InChIInChI=1S/C22H25N5O3/c1-29-19-9-8-16(14-20(19)30-2)18-15-21(25-24-18)23-22(28)27-12-10-26(11-13-27)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,23,24,25,28)
InChIKeyCOLURQMQODAUTM-UHFFFAOYSA-N
XLogP3.45
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799534
N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799532
N-(5-phenyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 110868204
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-[4-[2-(3,4-dimethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]phenyl]piperazin-1-yl]-phenylmethanone
CID 169281553
N-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104072
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide (CID 18799531) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide is COc1ccc(-c2cc(NC(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is COLURQMQODAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-19-9-8-16(14-20(19)30-2)18-15-21(25-24-18)23-22(28)27-12-10-26(11-13-27)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,23,24,25,28).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 18799531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).