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

C13H21N5O — CID 106387614

IUPAC1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2ncc(C)o2)c1N
InChIInChI=1S/C13H21N5O/c1-5-6-10-11(14)12(18(4)17-10)16-9(3)13-15-7-8(2)19-13/h7,9,16H,5-6,14H2,1-4H3
InChIKeyGTNWWTFVTSFWBZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds5

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

1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine (PubChem CID 106387614) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
PubChem CID106387614
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)c2ncc(C)o2)c1N
InChIInChI=1S/C13H21N5O/c1-5-6-10-11(14)12(18(4)17-10)16-9(3)13-15-7-8(2)19-13/h7,9,16H,5-6,14H2,1-4H3
InChIKeyGTNWWTFVTSFWBZ-UHFFFAOYSA-N
XLogP2.42
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
CID 114182304
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66017701
1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide
CID 106388568
5-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 106390334
1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
CID 66018319
5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017741
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258
5-N-[1-(diethylamino)propan-2-yl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017334
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 106388861
1-methyl-3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 106387646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine (CID 106387614) is 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC(C)c2ncc(C)o2)c1N.
What is the InChIKey of 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The InChIKey is GTNWWTFVTSFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-10-11(14)12(18(4)17-10)16-9(3)13-15-7-8(2)19-13/h7,9,16H,5-6,14H2,1-4H3.
What are the key properties of 1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine has a molecular weight of 263.34 g/mol, XLogP of 2.42, 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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 106387614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).