2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

C20H28N4O — CID 134033637

IUPAC2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C20H28N4O/c1-14-10-12-23(13-11-14)20(25)16(3)21-19-15(2)22-24(17(19)4)18-8-6-5-7-9-18/h5-9,14,16,21H,10-13H2,1-4H3
InChIKeyFNIAJVVCNGCTIS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.55
Rot. Bonds4

About 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 134033637) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID134033637
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C20H28N4O/c1-14-10-12-23(13-11-14)20(25)16(3)21-19-15(2)22-24(17(19)4)18-8-6-5-7-9-18/h5-9,14,16,21H,10-13H2,1-4H3
InChIKeyFNIAJVVCNGCTIS-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
CID 134033635
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 42938143
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94615289
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 78874746
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028420
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide
CID 100626167
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 134033637) is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is Cc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FNIAJVVCNGCTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-10-12-23(13-11-14)20(25)16(3)21-19-15(2)22-24(17(19)4)18-8-6-5-7-9-18/h5-9,14,16,21H,10-13H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 134033637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).