3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine

C13H17N5O2S — CID 102825845

IUPAC3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine
SMILESCS(=O)(=O)c1c(NCC2CC2)nn(-c2ccncc2)c1N
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)11-12(14)18(10-4-6-15-7-5-10)17-13(11)16-8-9-2-3-9/h4-7,9H,2-3,8,14H2,1H3,(H,16,17)
InChIKeyKPFIRSJAXIUDMF-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.07
Rot. Bonds5

About 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine

3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine (PubChem CID 102825845) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine
PubChem CID102825845
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine
SMILESCS(=O)(=O)c1c(NCC2CC2)nn(-c2ccncc2)c1N
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)11-12(14)18(10-4-6-15-7-5-10)17-13(11)16-8-9-2-3-9/h4-7,9H,2-3,8,14H2,1H3,(H,16,17)
InChIKeyKPFIRSJAXIUDMF-UHFFFAOYSA-N
XLogP1.07
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine (CID 102825845) is 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine is CS(=O)(=O)c1c(NCC2CC2)nn(-c2ccncc2)c1N.
What is the InChIKey of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine?
The InChIKey is KPFIRSJAXIUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-21(19,20)11-12(14)18(10-4-6-15-7-5-10)17-13(11)16-8-9-2-3-9/h4-7,9H,2-3,8,14H2,1H3,(H,16,17).
What are the key properties of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine?
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine has a molecular weight of 307.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102825845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).