3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol

C7H11N3O — CID 169452905

IUPAC3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol
SMILESCc1[nH]nc(N)c1C=CCO
InChIInChI=1S/C7H11N3O/c1-5-6(3-2-4-11)7(8)10-9-5/h2-3,11H,4H2,1H3,(H3,8,9,10)
InChIKeyJCFKXTGHZDCHON-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.31
Rot. Bonds2

About 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol

3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol (PubChem CID 169452905) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol
PubChem CID169452905
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol
SMILESCc1[nH]nc(N)c1C=CCO
InChIInChI=1S/C7H11N3O/c1-5-6(3-2-4-11)7(8)10-9-5/h2-3,11H,4H2,1H3,(H3,8,9,10)
InChIKeyJCFKXTGHZDCHON-UHFFFAOYSA-N
XLogP0.31
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
The IUPAC name of 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol (CID 169452905) is 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol is Cc1[nH]nc(N)c1C=CCO.
What is the InChIKey of 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
The InChIKey is JCFKXTGHZDCHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-6(3-2-4-11)7(8)10-9-5/h2-3,11H,4H2,1H3,(H3,8,9,10).
What are the key properties of 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol has a molecular weight of 153.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 169452905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).