1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea

C17H30N4O2 — CID 71860496

IUPAC1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)NC1(CCO)CCCCC1
InChIInChI=1S/C17H30N4O2/c1-12(2)21-14(4)15(13(3)20-21)18-16(23)19-17(10-11-22)8-6-5-7-9-17/h12,22H,5-11H2,1-4H3,(H2,18,19,23)
InChIKeyRIMFGVNICWHUIU-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.29
Rot. Bonds5

About 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea

1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea (PubChem CID 71860496) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
PubChem CID71860496
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)NC1(CCO)CCCCC1
InChIInChI=1S/C17H30N4O2/c1-12(2)21-14(4)15(13(3)20-21)18-16(23)19-17(10-11-22)8-6-5-7-9-17/h12,22H,5-11H2,1-4H3,(H2,18,19,23)
InChIKeyRIMFGVNICWHUIU-UHFFFAOYSA-N
XLogP3.29
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea (CID 71860496) is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea is Cc1nn(C(C)C)c(C)c1NC(=O)NC1(CCO)CCCCC1.
What is the InChIKey of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The InChIKey is RIMFGVNICWHUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(2)21-14(4)15(13(3)20-21)18-16(23)19-17(10-11-22)8-6-5-7-9-17/h12,22H,5-11H2,1-4H3,(H2,18,19,23).
What are the key properties of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea has a molecular weight of 322.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-(2-hydroxyethyl)cyclohexyl]urea is sourced from PubChem (CID 71860496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).