[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol

C15H25N3O — CID 55233427

IUPAC[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(C)CC2CC3CCC2C3)c1CO
InChIInChI=1S/C15H25N3O/c1-10-14(9-19)15(18(3)16-10)17(2)8-13-7-11-4-5-12(13)6-11/h11-13,19H,4-9H2,1-3H3
InChIKeyBWFZDWHSIOCPBL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.09
Rot. Bonds4

About [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol

[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 55233427) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID55233427
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(C)CC2CC3CCC2C3)c1CO
InChIInChI=1S/C15H25N3O/c1-10-14(9-19)15(18(3)16-10)17(2)8-13-7-11-4-5-12(13)6-11/h11-13,19H,4-9H2,1-3H3
InChIKeyBWFZDWHSIOCPBL-UHFFFAOYSA-N
XLogP2.09
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
CID 61449265
[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 60890248
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
CID 112661702
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80652293
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66123047
[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 63686849

Frequently Asked Questions

What is the IUPAC name of [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol (CID 55233427) is [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol is Cc1nn(C)c(N(C)CC2CC3CCC2C3)c1CO.
What is the InChIKey of [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is BWFZDWHSIOCPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10-14(9-19)15(18(3)16-10)17(2)8-13-7-11-4-5-12(13)6-11/h11-13,19H,4-9H2,1-3H3.
What are the key properties of [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 55233427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).