N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H24N4O — CID 113232975

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCC(C)N(C)CCNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H24N4O/c1-6-9(2)17(5)8-7-14-13(18)12-10(3)15-16-11(12)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16)
InChIKeyARXPYYGJFAZJIF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds6

About N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 113232975) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID113232975
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCC(C)N(C)CCNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H24N4O/c1-6-9(2)17(5)8-7-14-13(18)12-10(3)15-16-11(12)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16)
InChIKeyARXPYYGJFAZJIF-UHFFFAOYSA-N
XLogP1.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61013814
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 112690090
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115664893
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61447670

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 113232975) is N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCC(C)N(C)CCNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ARXPYYGJFAZJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-9(2)17(5)8-7-14-13(18)12-10(3)15-16-11(12)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16).
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113232975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).