N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide

C14H26N4O — CID 106356961

IUPACN-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(CCN)C(C)C)n(CC)n1
InChIInChI=1S/C14H26N4O/c1-5-11-9-13(18(6-2)17-11)14(19)16-12(7-8-15)10(3)4/h9-10,12H,5-8,15H2,1-4H3,(H,16,19)
InChIKeyYXHHAOCOOWQTGH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.57
Rot. Bonds7

About N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide

N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 106356961) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID106356961
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(CCN)C(C)C)n(CC)n1
InChIInChI=1S/C14H26N4O/c1-5-11-9-13(18(6-2)17-11)14(19)16-12(7-8-15)10(3)4/h9-10,12H,5-8,15H2,1-4H3,(H,16,19)
InChIKeyYXHHAOCOOWQTGH-UHFFFAOYSA-N
XLogP1.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106355702
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide (CID 106356961) is N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(CCN)C(C)C)n(CC)n1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is YXHHAOCOOWQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-11-9-13(18(6-2)17-11)14(19)16-12(7-8-15)10(3)4/h9-10,12H,5-8,15H2,1-4H3,(H,16,19).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 106356961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).