1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

C18H24N4O2 — CID 110936520

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)NCC1(O)CCCCC1
InChIInChI=1S/C18H24N4O2/c23-17(20-14-18(24)9-5-2-6-10-18)19-11-15-12-21-22(13-15)16-7-3-1-4-8-16/h1,3-4,7-8,12-13,24H,2,5-6,9-11,14H2,(H2,19,20,23)
InChIKeyUTBOPISLCDFIQP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.37
Rot. Bonds5

About 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 110936520) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID110936520
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)NCC1(O)CCCCC1
InChIInChI=1S/C18H24N4O2/c23-17(20-14-18(24)9-5-2-6-10-18)19-11-15-12-21-22(13-15)16-7-3-1-4-8-16/h1,3-4,7-8,12-13,24H,2,5-6,9-11,14H2,(H2,19,20,23)
InChIKeyUTBOPISLCDFIQP-UHFFFAOYSA-N
XLogP2.37
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94067419
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 87038386
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
N,N-dimethyl-1-[[[N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571453
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585
1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825128

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 110936520) is 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is O=C(NCc1cnn(-c2ccccc2)c1)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is UTBOPISLCDFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(20-14-18(24)9-5-2-6-10-18)19-11-15-12-21-22(13-15)16-7-3-1-4-8-16/h1,3-4,7-8,12-13,24H,2,5-6,9-11,14H2,(H2,19,20,23).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 110936520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).