4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide

C11H18N4O2 — CID 63727436

IUPAC4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CCOCC2)c1N
InChIInChI=1S/C11H18N4O2/c1-7-9(12)10(15-14-7)11(16)13-6-8-2-4-17-5-3-8/h8H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyADHJTXXINXVFBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.46
Rot. Bonds3

About 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 63727436) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID63727436
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CCOCC2)c1N
InChIInChI=1S/C11H18N4O2/c1-7-9(12)10(15-14-7)11(16)13-6-8-2-4-17-5-3-8/h8H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyADHJTXXINXVFBR-UHFFFAOYSA-N
XLogP0.46
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 81134167
4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 63687345
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 55033895

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 63727436) is 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC2CCOCC2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ADHJTXXINXVFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-9(12)10(15-14-7)11(16)13-6-8-2-4-17-5-3-8/h8H,2-6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63727436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).