N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide

C12H14N4O2 — CID 139312698

IUPACN-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide
SMILESCc1nc(-c2cnn(C)c2CNC=O)ccc1O
InChIInChI=1S/C12H14N4O2/c1-8-12(18)4-3-10(15-8)9-5-14-16(2)11(9)6-13-7-17/h3-5,7,18H,6H2,1-2H3,(H,13,17)
InChIKeyJIKVIWGWIJLJQK-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.74
Rot. Bonds4

About N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide

N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide (PubChem CID 139312698) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide
PubChem CID139312698
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide
SMILESCc1nc(-c2cnn(C)c2CNC=O)ccc1O
InChIInChI=1S/C12H14N4O2/c1-8-12(18)4-3-10(15-8)9-5-14-16(2)11(9)6-13-7-17/h3-5,7,18H,6H2,1-2H3,(H,13,17)
InChIKeyJIKVIWGWIJLJQK-UHFFFAOYSA-N
XLogP0.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[5-(aminomethyl)-1-methylpyrazol-4-yl]-2-methylpyridin-3-ol
CID 139312726
2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 139312690
[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate
CID 155009726
2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 170193695
3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one
CID 155009662
N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine
CID 122165961
2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol
CID 142610838
N-[(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)methyl]formamide
CID 19605204
1-methyl-5-(2-methylpropyl)pyrazol-4-ol
CID 105430134
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193605

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide?
The IUPAC name of N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide (CID 139312698) is N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide.
What is the SMILES notation for N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide?
The canonical SMILES for N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide is Cc1nc(-c2cnn(C)c2CNC=O)ccc1O.
What is the InChIKey of N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide?
The InChIKey is JIKVIWGWIJLJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-12(18)4-3-10(15-8)9-5-14-16(2)11(9)6-13-7-17/h3-5,7,18H,6H2,1-2H3,(H,13,17).
What are the key properties of N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide?
N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide has a molecular weight of 246.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide is sourced from PubChem (CID 139312698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).