1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

C16H20N4O2 — CID 71867139

IUPAC1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H20N4O2/c21-15(13-6-7-13)9-17-16(22)19-14-8-18-20(11-14)10-12-4-2-1-3-5-12/h1-5,8,11,13,15,21H,6-7,9-10H2,(H2,17,19,22)
InChIKeyBXEXTAFMJCELCB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.82
Rot. Bonds6

About 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 71867139) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID71867139
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H20N4O2/c21-15(13-6-7-13)9-17-16(22)19-14-8-18-20(11-14)10-12-4-2-1-3-5-12/h1-5,8,11,13,15,21H,6-7,9-10H2,(H2,17,19,22)
InChIKeyBXEXTAFMJCELCB-UHFFFAOYSA-N
XLogP1.82
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 71867139) is 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CC1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is BXEXTAFMJCELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(13-6-7-13)9-17-16(22)19-14-8-18-20(11-14)10-12-4-2-1-3-5-12/h1-5,8,11,13,15,21H,6-7,9-10H2,(H2,17,19,22).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 300.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 71867139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).