2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride

C13H23ClN4O — CID 119787817

IUPAC2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC1CCCc2cn[nH]c21.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-8(2)11(14)13(18)16-10-6-4-5-9-7-15-17-12(9)10;/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyOJWCKXDSSRCPSK-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.70
Rot. Bonds4

About 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride

2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride (PubChem CID 119787817) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
PubChem CID119787817
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC1CCCc2cn[nH]c21.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-8(2)11(14)13(18)16-10-6-4-5-9-7-15-17-12(9)10;/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyOJWCKXDSSRCPSK-UHFFFAOYSA-N
XLogP1.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride (CID 119787817) is 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride is CCC(C)C(N)C(=O)NC1CCCc2cn[nH]c21.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride?
The InChIKey is OJWCKXDSSRCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-3-8(2)11(14)13(18)16-10-6-4-5-9-7-15-17-12(9)10;/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride?
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).