[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol

C17H25N3O — CID 43570330

IUPAC[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
SMILESCc1nn(-c2ccccc2)c(N(C)C(C)C(C)C)c1CO
InChIInChI=1S/C17H25N3O/c1-12(2)14(4)19(5)17-16(11-21)13(3)18-20(17)15-9-7-6-8-10-15/h6-10,12,14,21H,11H2,1-5H3
InChIKeyGMHKMSBQRNPPIA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.15
Rot. Bonds5

About [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol

[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol (PubChem CID 43570330) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
PubChem CID43570330
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
SMILESCc1nn(-c2ccccc2)c(N(C)C(C)C(C)C)c1CO
InChIInChI=1S/C17H25N3O/c1-12(2)14(4)19(5)17-16(11-21)13(3)18-20(17)15-9-7-6-8-10-15/h6-10,12,14,21H,11H2,1-5H3
InChIKeyGMHKMSBQRNPPIA-UHFFFAOYSA-N
XLogP3.15
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43280900
4-(bromomethyl)-N-butan-2-yl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080054
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080390
3-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylbutan-2-ol
CID 107772346
(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
CID 63814567
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
CID 15252513
4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 43269808
(2S)-2-[[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methoxy]phenyl]methyl-methylamino]-3-methylbutan-1-ol
CID 175658829

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol (CID 43570330) is [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol is Cc1nn(-c2ccccc2)c(N(C)C(C)C(C)C)c1CO.
What is the InChIKey of [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol?
The InChIKey is GMHKMSBQRNPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)14(4)19(5)17-16(11-21)13(3)18-20(17)15-9-7-6-8-10-15/h6-10,12,14,21H,11H2,1-5H3.
What are the key properties of [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol?
[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol has a molecular weight of 287.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 43570330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).