1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C18H24N4O2 — CID 97242725

IUPAC1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H24N4O2/c1-21(13-15-4-2-5-17(15)23)18(24)19-12-14-6-8-16(9-7-14)22-11-3-10-20-22/h3,6-11,15,17,23H,2,4-5,12-13H2,1H3,(H,19,24)/t15-,17+/m0/s1
InChIKeyXDNCDBHMSVHMNA-DOTOQJQBSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds5

About 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 97242725) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID97242725
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H24N4O2/c1-21(13-15-4-2-5-17(15)23)18(24)19-12-14-6-8-16(9-7-14)22-11-3-10-20-22/h3,6-11,15,17,23H,2,4-5,12-13H2,1H3,(H,19,24)/t15-,17+/m0/s1
InChIKeyXDNCDBHMSVHMNA-DOTOQJQBSA-N
XLogP2.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 95152415
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
CID 109398554
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(triazol-1-yl)phenyl]urea
CID 109397030
1-ethyl-1-(2-methylprop-2-enyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122157666
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 97326930
(1S,3aS,6aS)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxamide
CID 154571885

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 97242725) is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea is CN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is XDNCDBHMSVHMNA-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(13-15-4-2-5-17(15)23)18(24)19-12-14-6-8-16(9-7-14)22-11-3-10-20-22/h3,6-11,15,17,23H,2,4-5,12-13H2,1H3,(H,19,24)/t15-,17+/m0/s1.
What are the key properties of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 97242725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).