4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

C9H15N3O3S — CID 64597039

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCOCC1CCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3O3S/c1-15-7-8-2-3-12(6-8)16(13,14)9-4-10-11-5-9/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)
InChIKeyNXMZMVHKWIUFJK-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.07
Rot. Bonds4

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (PubChem CID 64597039) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
PubChem CID64597039
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCOCC1CCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3O3S/c1-15-7-8-2-3-12(6-8)16(13,14)9-4-10-11-5-9/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)
InChIKeyNXMZMVHKWIUFJK-UHFFFAOYSA-N
XLogP0.07
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
3-bromo-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridine
CID 64598277
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95824755
4-[[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-yl]methyl]isoquinoline
CID 110258916
2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 64596839
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (CID 64597039) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is COCC1CCN(S(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The InChIKey is NXMZMVHKWIUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-15-7-8-2-3-12(6-8)16(13,14)9-4-10-11-5-9/h4-5,8H,2-3,6-7H2,1H3,(H,10,11).
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole has a molecular weight of 245.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 64597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).