1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea

C19H24N4O2 — CID 124621687

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
SMILESCc1nn(C)cc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C19H24N4O2/c1-13-16(12-23(2)22-13)21-18(24)20-15-11-19(9-5-6-10-19)25-17-8-4-3-7-14(15)17/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyDVZCAKSJYXCRQX-OAHLLOKOSA-N
MW340.43 g/mol
LogP3.69
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea

1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea (PubChem CID 124621687) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
PubChem CID124621687
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
SMILESCc1nn(C)cc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C19H24N4O2/c1-13-16(12-23(2)22-13)21-18(24)20-15-11-19(9-5-6-10-19)25-17-8-4-3-7-14(15)17/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyDVZCAKSJYXCRQX-OAHLLOKOSA-N
XLogP3.69
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 127675571
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
1-(2-methoxyphenyl)-3-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CID 40743676
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
1-(6-methoxypyrimidin-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 127815177
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
CID 118780791
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea (CID 124621687) is 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea is Cc1nn(C)cc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea?
The InChIKey is DVZCAKSJYXCRQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-16(12-23(2)22-13)21-18(24)20-15-11-19(9-5-6-10-19)25-17-8-4-3-7-14(15)17/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea?
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea is sourced from PubChem (CID 124621687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).