4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide

C20H26N4O2 — CID 55783643

IUPAC4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C20H26N4O2/c1-13(12-24-15(3)10-14(2)23-24)11-21-19(25)16-6-8-18(9-7-16)22-20(26)17-4-5-17/h6-10,13,17H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyICXQMVMJFKKEAC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.91
Rot. Bonds7

About 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide

4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide (PubChem CID 55783643) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
PubChem CID55783643
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C20H26N4O2/c1-13(12-24-15(3)10-14(2)23-24)11-21-19(25)16-6-8-18(9-7-16)22-20(26)17-4-5-17/h6-10,13,17H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyICXQMVMJFKKEAC-UHFFFAOYSA-N
XLogP2.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]carbamate
CID 47047540
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 51953886
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 51953800
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
CID 71791847
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide (CID 55783643) is 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide is Cc1cc(C)n(CC(C)CNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
The InChIKey is ICXQMVMJFKKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(12-24-15(3)10-14(2)23-24)11-21-19(25)16-6-8-18(9-7-16)22-20(26)17-4-5-17/h6-10,13,17H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 55783643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).