N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C22H23N5O2 — CID 1068777

IUPACN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c1-25-12-14-26(15-13-25)22(29)19-16-23-27(18-10-6-3-7-11-18)20(19)24-21(28)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyLYSVIRFSCHXRIA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide

N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1068777) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1068777
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N5O2/c1-25-12-14-26(15-13-25)22(29)19-16-23-27(18-10-6-3-7-11-18)20(19)24-21(28)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyLYSVIRFSCHXRIA-UHFFFAOYSA-N
XLogP2.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
1-(4-fluorophenyl)-4-({3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}carbonyl)-1H-pyrazol-5-amine
CID 11531595
1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11567867
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-piperidin-1-ylprop-1-ynyl)phenyl]methanone
CID 11675748
4-benzoyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 11716060
(5-amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 15311937
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-(dimethylamino)prop-1-ynyl)phenyl]methanone
CID 22262790
SR-318
CID 139030333
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994863

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1068777) is N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide is CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is LYSVIRFSCHXRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25-12-14-26(15-13-25)22(29)19-16-23-27(18-10-6-3-7-11-18)20(19)24-21(28)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,28).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1068777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).