N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide

C19H27N5O2 — CID 51338271

IUPACN-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C19H27N5O2/c1-12-16(14(3)24(23-12)15-10-8-7-9-11-15)20-13(2)17(25)21-18(26)22-19(4,5)6/h7-11,13,20H,1-6H3,(H2,21,22,25,26)
InChIKeyITVCMJWGBYJYJR-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.91
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide

N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide (PubChem CID 51338271) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
PubChem CID51338271
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C19H27N5O2/c1-12-16(14(3)24(23-12)15-10-8-7-9-11-15)20-13(2)17(25)21-18(26)22-19(4,5)6/h7-11,13,20H,1-6H3,(H2,21,22,25,26)
InChIKeyITVCMJWGBYJYJR-UHFFFAOYSA-N
XLogP2.91
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94615289
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
CID 134033635
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8959208
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 47798363
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 8881465
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine
CID 94599161
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide (CID 51338271) is N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
The InChIKey is ITVCMJWGBYJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-16(14(3)24(23-12)15-10-8-7-9-11-15)20-13(2)17(25)21-18(26)22-19(4,5)6/h7-11,13,20H,1-6H3,(H2,21,22,25,26).
What are the key properties of N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 51338271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).