1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C16H20N4O2 — CID 111104553

IUPAC1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cnn(CCO)c1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H20N4O2/c21-9-8-20-11-13(10-17-20)18-16(22)19-15-7-3-5-12-4-1-2-6-14(12)15/h3,5,7,10-11,21H,1-2,4,6,8-9H2,(H2,18,19,22)
InChIKeyDVXOXORAHRARDC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 111104553) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID111104553
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cnn(CCO)c1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H20N4O2/c21-9-8-20-11-13(10-17-20)18-16(22)19-15-7-3-5-12-4-1-2-6-14(12)15/h3,5,7,10-11,21H,1-2,4,6,8-9H2,(H2,18,19,22)
InChIKeyDVXOXORAHRARDC-UHFFFAOYSA-N
XLogP2.40
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64828561
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111104602
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 110911174
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 51488466
2-[4-[(3-chloro-2-methylphenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61182770
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111694
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 111104553) is 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cnn(CCO)c1)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is DVXOXORAHRARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-9-8-20-11-13(10-17-20)18-16(22)19-15-7-3-5-12-4-1-2-6-14(12)15/h3,5,7,10-11,21H,1-2,4,6,8-9H2,(H2,18,19,22).
What are the key properties of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 300.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 111104553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).