N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine

C10H19N3O2S — CID 115926037

IUPACN-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-4-7-13-10(5-6-11-13)12-9(2)8-16(3,14)15/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyUNYHFPSSBTXSLV-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.14
Rot. Bonds6

About N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine

N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine (PubChem CID 115926037) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine
PubChem CID115926037
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-4-7-13-10(5-6-11-13)12-9(2)8-16(3,14)15/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyUNYHFPSSBTXSLV-UHFFFAOYSA-N
XLogP1.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
CID 115926056
N-(1-ethoxypropan-2-yl)-2-propylpyrazol-3-amine
CID 115926039
N-(2-ethylbutyl)-2-propylpyrazol-3-amine
CID 115924285
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731650
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 115857532
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115921786
N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
CID 64629725
N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride
CID 71298911
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
2-ethyl-N-propan-2-ylpyrazol-3-amine;2-ethylpyrazol-3-amine;2-methylpropane
CID 159006628

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine (CID 115926037) is N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine is CCCn1nccc1NC(C)CS(C)(=O)=O.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine?
The InChIKey is UNYHFPSSBTXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-7-13-10(5-6-11-13)12-9(2)8-16(3,14)15/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine?
N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine has a molecular weight of 245.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine is sourced from PubChem (CID 115926037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).