(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol

C11H18N2O — CID 103573573

IUPAC(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
SMILESCCCn1cc(/C=C(/CC)CO)cn1
InChIInChI=1S/C11H18N2O/c1-3-5-13-8-11(7-12-13)6-10(4-2)9-14/h6-8,14H,3-5,9H2,1-2H3/b10-6-
InChIKeyQTHAOTLEWCVHCO-POHAHGRESA-N
MW194.28 g/mol
LogP2.08
Rot. Bonds5

About (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol

(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol (PubChem CID 103573573) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
PubChem CID103573573
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
SMILESCCCn1cc(/C=C(/CC)CO)cn1
InChIInChI=1S/C11H18N2O/c1-3-5-13-8-11(7-12-13)6-10(4-2)9-14/h6-8,14H,3-5,9H2,1-2H3/b10-6-
InChIKeyQTHAOTLEWCVHCO-POHAHGRESA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005
4-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 103573579
4-(1-propylpyrazol-4-yl)but-3-en-1-ol
CID 170476200
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
CID 103573881
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
2-[(1-methylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79330103
N-methyl-3-(1-propylpyrazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814132
2-(furan-3-ylmethylidene)butan-1-ol
CID 79334413

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol?
The IUPAC name of (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol (CID 103573573) is (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol.
What is the SMILES notation for (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol?
The canonical SMILES for (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol is CCCn1cc(/C=C(/CC)CO)cn1.
What is the InChIKey of (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol?
The InChIKey is QTHAOTLEWCVHCO-POHAHGRESA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-13-8-11(7-12-13)6-10(4-2)9-14/h6-8,14H,3-5,9H2,1-2H3/b10-6-.
What are the key properties of (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol?
(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol is sourced from PubChem (CID 103573573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).