1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole

C12H18N2OS — CID 172592854

IUPAC1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CCOC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C12H18N2OS/c1-16-11-4-5-15-12(6-11)9-7-13-14(8-9)10-2-3-10/h7-8,10-12H,2-6H2,1H3
InChIKeyNKDUKCDSCCOKGC-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole

1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole (PubChem CID 172592854) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
PubChem CID172592854
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CCOC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C12H18N2OS/c1-16-11-4-5-15-12(6-11)9-7-13-14(8-9)10-2-3-10/h7-8,10-12H,2-6H2,1H3
InChIKeyNKDUKCDSCCOKGC-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
2-(Fluoromethyl)-6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazine
CID 90331760
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide
CID 129001184
2-(1-Methyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-amine
CID 64107272
1-(2-Fluoroethyl)-4-(oxan-2-yl)pyrazole
CID 166122043
1-(3-Fluorocyclobutyl)-4-(oxan-2-yl)pyrazole
CID 166122182
1-Cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122887
1-(3,3-Difluorocyclobutyl)-4-(oxan-2-yl)pyrazole
CID 166123114
6-(1-Methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
CID 90331575
[2-(1-Methylpyrazol-4-yl)oxan-4-yl] methanesulfonate
CID 131128234
1-Cyclopropyl-4-(oxan-2-yl)pyrazole
CID 157044409
bromozinc(1+);1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole
CID 157044511

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
The IUPAC name of 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole (CID 172592854) is 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole.
What is the SMILES notation for 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
The canonical SMILES for 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole is CSC1CCOC(c2cnn(C3CC3)c2)C1.
What is the InChIKey of 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
The InChIKey is NKDUKCDSCCOKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-16-11-4-5-15-12(6-11)9-7-13-14(8-9)10-2-3-10/h7-8,10-12H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole has a molecular weight of 238.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-methylsulfanyloxan-2-yl)pyrazole is sourced from PubChem (CID 172592854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).