1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea

C10H14N4O — CID 56806120

IUPAC1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NCc1cc(CC)n[nH]1
InChIInChI=1S/C10H14N4O/c1-3-5-11-10(15)12-7-9-6-8(4-2)13-14-9/h1,6H,4-5,7H2,2H3,(H,13,14)(H2,11,12,15)
InChIKeyDWMXBUDLRZAZLJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.40
Rot. Bonds4

About 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea

1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea (PubChem CID 56806120) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea
PubChem CID56806120
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NCc1cc(CC)n[nH]1
InChIInChI=1S/C10H14N4O/c1-3-5-11-10(15)12-7-9-6-8(4-2)13-14-9/h1,6H,4-5,7H2,2H3,(H,13,14)(H2,11,12,15)
InChIKeyDWMXBUDLRZAZLJ-UHFFFAOYSA-N
XLogP0.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea?
The IUPAC name of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea (CID 56806120) is 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea.
What is the SMILES notation for 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea?
The canonical SMILES for 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea is C#CCNC(=O)NCc1cc(CC)n[nH]1.
What is the InChIKey of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea?
The InChIKey is DWMXBUDLRZAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-5-11-10(15)12-7-9-6-8(4-2)13-14-9/h1,6H,4-5,7H2,2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea?
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea has a molecular weight of 206.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-prop-2-ynylurea is sourced from PubChem (CID 56806120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).