3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide

C19H26N4O — CID 118304078

IUPAC3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(C3CC3NCC(C)(C)C)c2)cn1
InChIInChI=1S/C19H26N4O/c1-19(2,3)12-20-17-9-16(17)13-6-5-7-14(8-13)18(24)22-15-10-21-23(4)11-15/h5-8,10-11,16-17,20H,9,12H2,1-4H3,(H,22,24)
InChIKeyZNSMSESERXURRW-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds5

About 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide

3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 118304078) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID118304078
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(C3CC3NCC(C)(C)C)c2)cn1
InChIInChI=1S/C19H26N4O/c1-19(2,3)12-20-17-9-16(17)13-6-5-7-14(8-13)18(24)22-15-10-21-23(4)11-15/h5-8,10-11,16-17,20H,9,12H2,1-4H3,(H,22,24)
InChIKeyZNSMSESERXURRW-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 45267632
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isopropylbenzamide
CID 658362
N-[1-(4-tert-butylphenyl)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 4283376
T-3775440 hydrochloride
CID 86729932
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 86729933
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
N-(1-cyclobutylpyrazol-4-yl)-2-fluoro-3-(1-methylpyrazol-4-yl)benzamide
CID 165129966
US10138222, Example 105
CID 134325382
Cxd-101
CID 16225380
Jbi-802
CID 166177211
2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 56761670
3-tert-butyl-N-[(2S)-1-(2-iminoethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 49867395

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 118304078) is 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cccc(C3CC3NCC(C)(C)C)c2)cn1.
What is the InChIKey of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is ZNSMSESERXURRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)12-20-17-9-16(17)13-6-5-7-14(8-13)18(24)22-15-10-21-23(4)11-15/h5-8,10-11,16-17,20H,9,12H2,1-4H3,(H,22,24).
What are the key properties of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 118304078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).