2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol

C14H20N4O — CID 29029305

IUPAC2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
SMILESCC(C)N(Cc1cnn(C)c1)Cc1ncccc1O
InChIInChI=1S/C14H20N4O/c1-11(2)18(9-12-7-16-17(3)8-12)10-13-14(19)5-4-6-15-13/h4-8,11,19H,9-10H2,1-3H3
InChIKeyDQLWTOKCKAWDAL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.93
Rot. Bonds5

About 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol

2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol (PubChem CID 29029305) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
PubChem CID29029305
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
SMILESCC(C)N(Cc1cnn(C)c1)Cc1ncccc1O
InChIInChI=1S/C14H20N4O/c1-11(2)18(9-12-7-16-17(3)8-12)10-13-14(19)5-4-6-15-13/h4-8,11,19H,9-10H2,1-3H3
InChIKeyDQLWTOKCKAWDAL-UHFFFAOYSA-N
XLogP1.93
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 50971160
N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
CID 95323085
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
CID 28732563
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 95324134
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804
2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56816908

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol (CID 29029305) is 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol is CC(C)N(Cc1cnn(C)c1)Cc1ncccc1O.
What is the InChIKey of 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol?
The InChIKey is DQLWTOKCKAWDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)18(9-12-7-16-17(3)8-12)10-13-14(19)5-4-6-15-13/h4-8,11,19H,9-10H2,1-3H3.
What are the key properties of 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol?
2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol has a molecular weight of 260.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 29029305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).