3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride

C14H20ClN3O — CID 126966507

IUPAC3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
SMILESCC(C)n1ccc(CNCc2cccc(O)c2)n1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-11(2)17-7-6-13(16-17)10-15-9-12-4-3-5-14(18)8-12;/h3-8,11,15,18H,9-10H2,1-2H3;1H
InChIKeyWCRDEMVPCPULTO-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.88
Rot. Bonds5

About 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride

3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride (PubChem CID 126966507) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
PubChem CID126966507
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
SMILESCC(C)n1ccc(CNCc2cccc(O)c2)n1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-11(2)17-7-6-13(16-17)10-15-9-12-4-3-5-14(18)8-12;/h3-8,11,15,18H,9-10H2,1-2H3;1H
InChIKeyWCRDEMVPCPULTO-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 19627468
N,N-dimethyl-4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168247
N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122168776
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126964397
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65469409
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771268
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771454
1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357
3-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 114503659
3-[(4-methylpentylamino)methyl]phenol
CID 60744251

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride?
The IUPAC name of 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride (CID 126966507) is 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride is CC(C)n1ccc(CNCc2cccc(O)c2)n1.Cl.
What is the InChIKey of 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride?
The InChIKey is WCRDEMVPCPULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-11(2)17-7-6-13(16-17)10-15-9-12-4-3-5-14(18)8-12;/h3-8,11,15,18H,9-10H2,1-2H3;1H.
What are the key properties of 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride?
3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 126966507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).