1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea

C20H26N4O2 — CID 75363861

IUPAC1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCC(O)CC1
InChIInChI=1S/C20H26N4O2/c25-16-11-9-14(10-12-16)22-20(26)21-13-18-17-7-4-8-19(17)24(23-18)15-5-2-1-3-6-15/h1-3,5-6,14,16,25H,4,7-13H2,(H2,21,22,26)
InChIKeyGYICWDUKEZIFTD-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea

1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (PubChem CID 75363861) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
PubChem CID75363861
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCC(O)CC1
InChIInChI=1S/C20H26N4O2/c25-16-11-9-14(10-12-16)22-20(26)21-13-18-17-7-4-8-19(17)24(23-18)15-5-2-1-3-6-15/h1-3,5-6,14,16,25H,4,7-13H2,(H2,21,22,26)
InChIKeyGYICWDUKEZIFTD-UHFFFAOYSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]urea
CID 47306902
1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
CID 71890441
1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
CID 71938101
3-hydroxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-1-carboxamide
CID 71938734
1-(1,4-dioxan-2-ylmethyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
CID 75404569
3-(carbamoylamino)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
CID 75404902
1-[3-Fluoro-4-(2-hydroxyethyl)phenyl]-3-[[2-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]urea
CID 70816426
4-[[1-(4-Fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 45846349
1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 75361414
N-ethyl-4-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperazine-1-carboxamide
CID 75463119
1-[[1-(4-Fluorophenyl)pyrazol-3-yl]methyl]-3-(4-hydroxycyclohexyl)urea
CID 109894918
1-[[1-(4-Fluorophenyl)pyrazol-3-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 109902223

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (CID 75363861) is 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The InChIKey is GYICWDUKEZIFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-16-11-9-14(10-12-16)22-20(26)21-13-18-17-7-4-8-19(17)24(23-18)15-5-2-1-3-6-15/h1-3,5-6,14,16,25H,4,7-13H2,(H2,21,22,26).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea has a molecular weight of 354.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is sourced from PubChem (CID 75363861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).