1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine

C12H19N5O — CID 66017910

IUPAC1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2cc(C)no2)c1N
InChIInChI=1S/C12H19N5O/c1-4-5-10-11(13)12(17(3)15-10)14-7-9-6-8(2)16-18-9/h6,14H,4-5,7,13H2,1-3H3
InChIKeyWGBMVRLWCUCZAA-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.86
Rot. Bonds5

About 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine

1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine (PubChem CID 66017910) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine
PubChem CID66017910
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2cc(C)no2)c1N
InChIInChI=1S/C12H19N5O/c1-4-5-10-11(13)12(17(3)15-10)14-7-9-6-8(2)16-18-9/h6,14H,4-5,7,13H2,1-3H3
InChIKeyWGBMVRLWCUCZAA-UHFFFAOYSA-N
XLogP1.86
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 53539380
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 53559004
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196641
N-(1,3-dimethyl-1H-pyrazol-5-yl)-3-methylisoxazole-5-carboxamide
CID 25813410
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(5-cyclopropylisoxazol-3-yl)methyl]acetamide
CID 91771578
1-[(5-Cyclopropyl-2-methylpyrazol-3-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
CID 138028054
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 118171048
1-(1-Methyl-3-propylpyrazol-5-yl)-3-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]urea
CID 126815812
1-(5-Ethyl-3-methyl-1,2-oxazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 154770299
5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 45284702
3-propan-2-yl-5-[[5-propan-2-yl-3-(4H-pyrimidin-3-yl)pyrazol-1-yl]methyl]-1,2-oxazole
CID 68876654
5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-1H-1,2,3-triazol-4-amine
CID 79543372

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine (CID 66017910) is 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCc2cc(C)no2)c1N.
What is the InChIKey of 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine?
The InChIKey is WGBMVRLWCUCZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-5-10-11(13)12(17(3)15-10)14-7-9-6-8(2)16-18-9/h6,14H,4-5,7,13H2,1-3H3.
What are the key properties of 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).