1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C10H17N3O — CID 62976161

IUPAC1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2cnn(C)c2)C1
InChIInChI=1S/C10H17N3O/c1-12-4-3-10(14,8-12)5-9-6-11-13(2)7-9/h6-7,14H,3-5,8H2,1-2H3
InChIKeyLAHWZXJWSDLSGG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.03
Rot. Bonds2

About 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 62976161) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID62976161
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2cnn(C)c2)C1
InChIInChI=1S/C10H17N3O/c1-12-4-3-10(14,8-12)5-9-6-11-13(2)7-9/h6-7,14H,3-5,8H2,1-2H3
InChIKeyLAHWZXJWSDLSGG-UHFFFAOYSA-N
XLogP0.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
4-[(1-methylpyrazol-4-yl)methyl]azepan-4-ol
CID 103982876
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
CID 66033317
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449
1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 62976161) is 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is CN1CCC(O)(Cc2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is LAHWZXJWSDLSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-4-3-10(14,8-12)5-9-6-11-13(2)7-9/h6-7,14H,3-5,8H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62976161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).