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

C18H22N4O — CID 118304472

IUPAC3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(C3CC3NC3CCC3)c2)cn1
InChIInChI=1S/C18H22N4O/c1-22-11-15(10-19-22)21-18(23)13-5-2-4-12(8-13)16-9-17(16)20-14-6-3-7-14/h2,4-5,8,10-11,14,16-17,20H,3,6-7,9H2,1H3,(H,21,23)
InChIKeyBSYYDMCHZIKURB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds5

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

3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 118304472) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID118304472
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(C3CC3NC3CCC3)c2)cn1
InChIInChI=1S/C18H22N4O/c1-22-11-15(10-19-22)21-18(23)13-5-2-4-12(8-13)16-9-17(16)20-14-6-3-7-14/h2,4-5,8,10-11,14,16-17,20H,3,6-7,9H2,1H3,(H,21,23)
InChIKeyBSYYDMCHZIKURB-UHFFFAOYSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
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
2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 56761670
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2,2-diphenylacetamide
CID 2225156
Nalpha-Benzoyl-N-(cyanomethyl)-3-(1-methyl-1H-pyrazol-4-yl)-L-phenylalaninamide
CID 45268499
N-[(2S)-1-(cyanomethylamino)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1-oxopropan-2-yl]benzamide
CID 45272742

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 118304472) is 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cccc(C3CC3NC3CCC3)c2)cn1.
What is the InChIKey of 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is BSYYDMCHZIKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22-11-15(10-19-22)21-18(23)13-5-2-4-12(8-13)16-9-17(16)20-14-6-3-7-14/h2,4-5,8,10-11,14,16-17,20H,3,6-7,9H2,1H3,(H,21,23).
What are the key properties of 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 118304472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).