2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol

C17H26N4O — CID 111824278

IUPAC2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCC(C)(C)n1cc(CNCC(CO)Cc2ccccn2)cn1
InChIInChI=1S/C17H26N4O/c1-17(2,3)21-12-15(11-20-21)10-18-9-14(13-22)8-16-6-4-5-7-19-16/h4-7,11-12,14,18,22H,8-10,13H2,1-3H3
InChIKeyBKQDCLUDFPUPTB-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.97
Rot. Bonds7

About 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol

2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol (PubChem CID 111824278) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
PubChem CID111824278
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCC(C)(C)n1cc(CNCC(CO)Cc2ccccn2)cn1
InChIInChI=1S/C17H26N4O/c1-17(2,3)21-12-15(11-20-21)10-18-9-14(13-22)8-16-6-4-5-7-19-16/h4-7,11-12,14,18,22H,8-10,13H2,1-3H3
InChIKeyBKQDCLUDFPUPTB-UHFFFAOYSA-N
XLogP1.97
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824223
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824291
1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
CID 111824301
2-(pyridin-2-ylmethyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111824222
3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 56814861
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681132
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335592
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
2-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133475917

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol (CID 111824278) is 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol is CC(C)(C)n1cc(CNCC(CO)Cc2ccccn2)cn1.
What is the InChIKey of 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is BKQDCLUDFPUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)21-12-15(11-20-21)10-18-9-14(13-22)8-16-6-4-5-7-19-16/h4-7,11-12,14,18,22H,8-10,13H2,1-3H3.
What are the key properties of 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 111824278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).