4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol

C14H25N3O — CID 79355509

IUPAC4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
SMILESCc1nn(CCC(C)(C)O)c(C)c1CNC1CC1
InChIInChI=1S/C14H25N3O/c1-10-13(9-15-12-5-6-12)11(2)17(16-10)8-7-14(3,4)18/h12,15,18H,5-9H2,1-4H3
InChIKeyDECBANMSZXSNNN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.91
Rot. Bonds6

About 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol

4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol (PubChem CID 79355509) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
PubChem CID79355509
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
SMILESCc1nn(CCC(C)(C)O)c(C)c1CNC1CC1
InChIInChI=1S/C14H25N3O/c1-10-13(9-15-12-5-6-12)11(2)17(16-10)8-7-14(3,4)18/h12,15,18H,5-9H2,1-4H3
InChIKeyDECBANMSZXSNNN-UHFFFAOYSA-N
XLogP1.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 61493166
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
N-[[3,5-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 107913059
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 109479351
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110909251

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol (CID 79355509) is 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol is Cc1nn(CCC(C)(C)O)c(C)c1CNC1CC1.
What is the InChIKey of 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is DECBANMSZXSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-13(9-15-12-5-6-12)11(2)17(16-10)8-7-14(3,4)18/h12,15,18H,5-9H2,1-4H3.
What are the key properties of 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol?
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79355509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).