N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide

C13H24N4O — CID 66121415

IUPACN-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(N)C(C)C)n(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-10-7-12(17(6-2)16-10)13(18)15-8-11(14)9(3)4/h7,9,11H,5-6,8,14H2,1-4H3,(H,15,18)
InChIKeyPIWMTCXPBJGSRR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds6

About N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide

N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66121415) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66121415
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(N)C(C)C)n(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-10-7-12(17(6-2)16-10)13(18)15-8-11(14)9(3)4/h7,9,11H,5-6,8,14H2,1-4H3,(H,15,18)
InChIKeyPIWMTCXPBJGSRR-UHFFFAOYSA-N
XLogP1.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
CID 107155249
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide (CID 66121415) is N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC(N)C(C)C)n(CC)n1.
What is the InChIKey of N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is PIWMTCXPBJGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10-7-12(17(6-2)16-10)13(18)15-8-11(14)9(3)4/h7,9,11H,5-6,8,14H2,1-4H3,(H,15,18).
What are the key properties of N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide?
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).