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

C9H18N4O — CID 103078659

IUPAC4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1nn(C)cc1N
InChIInChI=1S/C9H18N4O/c1-7(3-4-14)5-11-9-8(10)6-13(2)12-9/h6-7,14H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyDNNKPXLPYUZCSS-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.43
Rot. Bonds5

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

4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol (PubChem CID 103078659) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol
PubChem CID103078659
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1nn(C)cc1N
InChIInChI=1S/C9H18N4O/c1-7(3-4-14)5-11-9-8(10)6-13(2)12-9/h6-7,14H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyDNNKPXLPYUZCSS-UHFFFAOYSA-N
XLogP0.43
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol (CID 103078659) is 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNc1nn(C)cc1N.
What is the InChIKey of 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol?
The InChIKey is DNNKPXLPYUZCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(3-4-14)5-11-9-8(10)6-13(2)12-9/h6-7,14H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol?
4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 103078659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).