N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide

C21H21N7O — CID 166364069

IUPACN-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(-n3cc(C#N)cn3)cc2)CCN1c1ccncc1
InChIInChI=1S/C21H21N7O/c1-16-14-26(10-11-27(16)19-6-8-23-9-7-19)21(29)25-18-2-4-20(5-3-18)28-15-17(12-22)13-24-28/h2-9,13,15-16H,10-11,14H2,1H3,(H,25,29)
InChIKeyVKJWIBCUMMABGH-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.88
Rot. Bonds3

About N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide

N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 166364069) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID166364069
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(-n3cc(C#N)cn3)cc2)CCN1c1ccncc1
InChIInChI=1S/C21H21N7O/c1-16-14-26(10-11-27(16)19-6-8-23-9-7-19)21(29)25-18-2-4-20(5-3-18)28-15-17(12-22)13-24-28/h2-9,13,15-16H,10-11,14H2,1H3,(H,25,29)
InChIKeyVKJWIBCUMMABGH-UHFFFAOYSA-N
XLogP2.88
TPSA90.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4993779
3-(4-cyanopyrazol-1-yl)-N-(4-fluoro-3-methylphenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121188
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxoacetamide
CID 167863317
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 3830556
(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 58665278
4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 156711867
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 3786041
(3R)-3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2207731
1-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 166251450
2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
CID 155063465

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide (CID 166364069) is N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2ccc(-n3cc(C#N)cn3)cc2)CCN1c1ccncc1.
What is the InChIKey of N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is VKJWIBCUMMABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-16-14-26(10-11-27(16)19-6-8-23-9-7-19)21(29)25-18-2-4-20(5-3-18)28-15-17(12-22)13-24-28/h2-9,13,15-16H,10-11,14H2,1H3,(H,25,29).
What are the key properties of N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 166364069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).