1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol

C11H18N2O — CID 82870522

IUPAC1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
SMILESCn1ccc(CCCC(O)C2CC2)n1
InChIInChI=1S/C11H18N2O/c1-13-8-7-10(12-13)3-2-4-11(14)9-5-6-9/h7-9,11,14H,2-6H2,1H3
InChIKeyNXSAYVQKIUIWDO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds5

About 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol

1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol (PubChem CID 82870522) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
PubChem CID82870522
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
SMILESCn1ccc(CCCC(O)C2CC2)n1
InChIInChI=1S/C11H18N2O/c1-13-8-7-10(12-13)3-2-4-11(14)9-5-6-9/h7-9,11,14H,2-6H2,1H3
InChIKeyNXSAYVQKIUIWDO-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)heptan-4-ol
CID 82872149
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
3-(4-chloro-4-cyclopropylbutyl)-1-propan-2-ylpyrazole
CID 64801928
N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82869017
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 114144133
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870233
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol (CID 82870522) is 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol is Cn1ccc(CCCC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol?
The InChIKey is NXSAYVQKIUIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-8-7-10(12-13)3-2-4-11(14)9-5-6-9/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol?
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 82870522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).