1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine

C8H10N4O — CID 139295160

IUPAC1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
SMILESCn1ccc(NCc2cnoc2)n1
InChIInChI=1S/C8H10N4O/c1-12-3-2-8(11-12)9-4-7-5-10-13-6-7/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyXGRSTHXSQRVXKC-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.02
Rot. Bonds3

About 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine

1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine (PubChem CID 139295160) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
PubChem CID139295160
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
SMILESCn1ccc(NCc2cnoc2)n1
InChIInChI=1S/C8H10N4O/c1-12-3-2-8(11-12)9-4-7-5-10-13-6-7/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyXGRSTHXSQRVXKC-UHFFFAOYSA-N
XLogP1.02
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850
1-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115697833
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline
CID 61221864
1-methyl-N-[[2,4,6-trimethyl-3-[[(1-methylpyrazol-3-yl)amino]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]methyl]phenyl]methyl]pyrazol-3-amine
CID 122206251
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 60809796
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine
CID 79779591
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylpyrazol-3-amine
CID 79778271

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine (CID 139295160) is 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine is Cn1ccc(NCc2cnoc2)n1.
What is the InChIKey of 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine?
The InChIKey is XGRSTHXSQRVXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12-3-2-8(11-12)9-4-7-5-10-13-6-7/h2-3,5-6H,4H2,1H3,(H,9,11).
What are the key properties of 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine?
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine has a molecular weight of 178.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 139295160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).