2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide

C19H27ClN4O — CID 46975737

IUPAC2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC(C(C)C)N(C)C)c2)n1
InChIInChI=1S/C19H27ClN4O/c1-12(2)18(23(5)6)11-21-19(25)16-10-15(7-8-17(16)20)24-14(4)9-13(3)22-24/h7-10,12,18H,11H2,1-6H3,(H,21,25)
InChIKeySFUFDTLCEQBTDC-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.46
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide

2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 46975737) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID46975737
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC(C(C)C)N(C)C)c2)n1
InChIInChI=1S/C19H27ClN4O/c1-12(2)18(23(5)6)11-21-19(25)16-10-15(7-8-17(16)20)24-14(4)9-13(3)22-24/h7-10,12,18H,11H2,1-6H3,(H,21,25)
InChIKeySFUFDTLCEQBTDC-UHFFFAOYSA-N
XLogP3.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4782773
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride
CID 171667489
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
CID 82512795
3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
CID 125443294
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide (CID 46975737) is 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC(C(C)C)N(C)C)c2)n1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is SFUFDTLCEQBTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-12(2)18(23(5)6)11-21-19(25)16-10-15(7-8-17(16)20)24-14(4)9-13(3)22-24/h7-10,12,18H,11H2,1-6H3,(H,21,25).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide?
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 362.91 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 46975737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).