N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine

C9H12N4O — CID 43539826

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1noc(C)c1CNc1cn[nH]c1
InChIInChI=1S/C9H12N4O/c1-6-9(7(2)14-13-6)5-10-8-3-11-12-4-8/h3-4,10H,5H2,1-2H3,(H,11,12)
InChIKeyPURJYZMKDGCOBR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.63
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 43539826) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
PubChem CID43539826
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1noc(C)c1CNc1cn[nH]c1
InChIInChI=1S/C9H12N4O/c1-6-9(7(2)14-13-6)5-10-8-3-11-12-4-8/h3-4,10H,5H2,1-2H3,(H,11,12)
InChIKeyPURJYZMKDGCOBR-UHFFFAOYSA-N
XLogP1.63
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methylaniline
CID 104937892
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 62748699
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodoaniline
CID 28879203
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyaniline
CID 63997036
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 47077228
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluorobenzene-1,3-diamine
CID 79225193
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzene-1,3-dicarboxamide
CID 28781635
4-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 28781531
N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine
CID 43540108

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine (CID 43539826) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine is Cc1noc(C)c1CNc1cn[nH]c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is PURJYZMKDGCOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-9(7(2)14-13-6)5-10-8-3-11-12-4-8/h3-4,10H,5H2,1-2H3,(H,11,12).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 192.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).