1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea

C13H22N4O2 — CID 110936584

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H22N4O2/c1-17-11(5-8-16-17)9-14-12(18)15-10-13(19)6-3-2-4-7-13/h5,8,19H,2-4,6-7,9-10H2,1H3,(H2,14,15,18)
InChIKeyISIUPYFLLAZWTM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds4

About 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 110936584) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID110936584
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H22N4O2/c1-17-11(5-8-16-17)9-14-12(18)15-10-13(19)6-3-2-4-7-13/h5,8,19H,2-4,6-7,9-10H2,1H3,(H2,14,15,18)
InChIKeyISIUPYFLLAZWTM-UHFFFAOYSA-N
XLogP0.91
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 111464411
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
tert-butyl N-[1-[[(2-methylpyrazol-3-yl)methylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 87007419
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 110936584) is 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is ISIUPYFLLAZWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17-11(5-8-16-17)9-14-12(18)15-10-13(19)6-3-2-4-7-13/h5,8,19H,2-4,6-7,9-10H2,1H3,(H2,14,15,18).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 266.34 g/mol, XLogP of 0.91, 4 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-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 110936584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).