2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide

C10H18N4O — CID 60999328

IUPAC2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide
SMILESCCCCC(N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-2-3-4-9(11)10(15)12-5-8-6-13-14-7-8/h6-7,9H,2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyOBUPORWJDMPALT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.54
Rot. Bonds6

About 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide

2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide (PubChem CID 60999328) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide
PubChem CID60999328
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide
SMILESCCCCC(N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-2-3-4-9(11)10(15)12-5-8-6-13-14-7-8/h6-7,9H,2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyOBUPORWJDMPALT-UHFFFAOYSA-N
XLogP0.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide?
The IUPAC name of 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide (CID 60999328) is 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide.
What is the SMILES notation for 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide?
The canonical SMILES for 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide is CCCCC(N)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide?
The InChIKey is OBUPORWJDMPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-9(11)10(15)12-5-8-6-13-14-7-8/h6-7,9H,2-5,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide?
2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide has a molecular weight of 210.28 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-pyrazol-4-ylmethyl)hexanamide is sourced from PubChem (CID 60999328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).