N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide

C22H28N6O — CID 75463129

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC(n2ccnc2)CC1
InChIInChI=1S/C22H28N6O/c1-17-22(18(2)28(25-17)20-6-4-3-5-7-20)24-21(29)10-14-26-12-8-19(9-13-26)27-15-11-23-16-27/h3-7,11,15-16,19H,8-10,12-14H2,1-2H3,(H,24,29)
InChIKeyINKSFRGKUQVKDH-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.35
Rot. Bonds6

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide (PubChem CID 75463129) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide
PubChem CID75463129
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC(n2ccnc2)CC1
InChIInChI=1S/C22H28N6O/c1-17-22(18(2)28(25-17)20-6-4-3-5-7-20)24-21(29)10-14-26-12-8-19(9-13-26)27-15-11-23-16-27/h3-7,11,15-16,19H,8-10,12-14H2,1-2H3,(H,24,29)
InChIKeyINKSFRGKUQVKDH-UHFFFAOYSA-N
XLogP3.35
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-cyclohexyloxypiperidin-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86873912
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566069
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119914202
3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86984169
3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55849819
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55628035
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816585
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
CID 55565686
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
ethyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931236
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 24543238
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide (CID 75463129) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC(n2ccnc2)CC1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
The InChIKey is INKSFRGKUQVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-17-22(18(2)28(25-17)20-6-4-3-5-7-20)24-21(29)10-14-26-12-8-19(9-13-26)27-15-11-23-16-27/h3-7,11,15-16,19H,8-10,12-14H2,1-2H3,(H,24,29).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide has a molecular weight of 392.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 75463129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).