2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]

C16H18N2O — CID 58551045

IUPAC2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]
SMILESCn1cc2c(n1)-c1ccccc1OC21CCCCC1
InChIInChI=1S/C16H18N2O/c1-18-11-13-15(17-18)12-7-3-4-8-14(12)19-16(13)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyWWOJJPQEWWUBAW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.64
Rot. Bonds

About 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]

2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane] (PubChem CID 58551045) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane].

Molecular Properties

Compound Name2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]
PubChem CID58551045
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]
SMILESCn1cc2c(n1)-c1ccccc1OC21CCCCC1
InChIInChI=1S/C16H18N2O/c1-18-11-13-15(17-18)12-7-3-4-8-14(12)19-16(13)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyWWOJJPQEWWUBAW-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane] with MolForge

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Related Compounds

4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 58550717
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
CID 58551196
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 54670933
N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen
CID 157412743
spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine
CID 58233735
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
3,3-dichlorospiro[chromene-2,1'-cyclohexane]-4-one
CID 11140652
2-[[(E)-(4-oxospiro[chromene-2,1'-cyclohexane]-3-ylidene)methyl]amino]acetic acid
CID 171985729
3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine
CID 132916566
N-(2,4-difluorophenyl)-1-methylspiro[chromeno[3,4-d]pyrazole-4,1'-cyclobutane]-3-carboxamide
CID 42644100
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
spiro[12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene-13,1'-cyclohexane]
CID 86254199

Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]?
The IUPAC name of 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane] (CID 58551045) is 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane].
What is the SMILES notation for 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]?
The canonical SMILES for 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane] is Cn1cc2c(n1)-c1ccccc1OC21CCCCC1.
What is the InChIKey of 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]?
The InChIKey is WWOJJPQEWWUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-11-13-15(17-18)12-7-3-4-8-14(12)19-16(13)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]?
2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane] has a molecular weight of 254.33 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane] is sourced from PubChem (CID 58551045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).