N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide

C16H30N4O — CID 119666656

IUPACN-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnn(C(C)(C)C)c1CC
InChIInChI=1S/C16H30N4O/c1-6-8-9-12(10-17)19-15(21)13-11-18-20(14(13)7-2)16(3,4)5/h11-12H,6-10,17H2,1-5H3,(H,19,21)
InChIKeyOJVYWXDAMCIPSN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.45
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide

N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide (PubChem CID 119666656) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide
PubChem CID119666656
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnn(C(C)(C)C)c1CC
InChIInChI=1S/C16H30N4O/c1-6-8-9-12(10-17)19-15(21)13-11-18-20(14(13)7-2)16(3,4)5/h11-12H,6-10,17H2,1-5H3,(H,19,21)
InChIKeyOJVYWXDAMCIPSN-UHFFFAOYSA-N
XLogP2.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide (CID 119666656) is N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide is CCCCC(CN)NC(=O)c1cnn(C(C)(C)C)c1CC.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide?
The InChIKey is OJVYWXDAMCIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-8-9-12(10-17)19-15(21)13-11-18-20(14(13)7-2)16(3,4)5/h11-12H,6-10,17H2,1-5H3,(H,19,21).
What are the key properties of N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide?
N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 119666656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).