1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol

C11H22N4O — CID 106284296

IUPAC1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1nn(C)cc1N
InChIInChI=1S/C11H22N4O/c1-4-8(5-2)10(16)6-13-11-9(12)7-15(3)14-11/h7-8,10,16H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyNTLCMGDGPANSEJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.21
Rot. Bonds6

About 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol

1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol (PubChem CID 106284296) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol
PubChem CID106284296
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1nn(C)cc1N
InChIInChI=1S/C11H22N4O/c1-4-8(5-2)10(16)6-13-11-9(12)7-15(3)14-11/h7-8,10,16H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyNTLCMGDGPANSEJ-UHFFFAOYSA-N
XLogP1.21
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol (CID 106284296) is 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1nn(C)cc1N.
What is the InChIKey of 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol?
The InChIKey is NTLCMGDGPANSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-8(5-2)10(16)6-13-11-9(12)7-15(3)14-11/h7-8,10,16H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol?
1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).