N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide

C12H19N3O4S — CID 99704126

IUPACN-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)n[nH]1
InChIInChI=1S/C12H19N3O4S/c1-2-3-10-6-11(14-13-10)12(16)15-20(17,18)8-9-4-5-19-7-9/h6,9H,2-5,7-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyQPUJRWLCESWXAT-VIFPVBQESA-N
MW301.37 g/mol
LogP0.46
Rot. Bonds6

About N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 99704126) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID99704126
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)n[nH]1
InChIInChI=1S/C12H19N3O4S/c1-2-3-10-6-11(14-13-10)12(16)15-20(17,18)8-9-4-5-19-7-9/h6,9H,2-5,7-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyQPUJRWLCESWXAT-VIFPVBQESA-N
XLogP0.46
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 99704126) is N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)n[nH]1.
What is the InChIKey of N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is QPUJRWLCESWXAT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-3-10-6-11(14-13-10)12(16)15-20(17,18)8-9-4-5-19-7-9/h6,9H,2-5,7-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99704126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).