1H-pyrazole;urea

C4H8N4O — CID 66915476

IUPAC1H-pyrazole;urea
SMILESNC(N)=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH4N2O/c1-2-4-5-3-1;2-1(3)4/h1-3H,(H,4,5);(H4,2,3,4)
InChIKeyIQFIWJDBZRZLNO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.57
Rot. Bonds

About 1H-pyrazole;urea

1H-pyrazole;urea (PubChem CID 66915476) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 1H-pyrazole;urea.

Molecular Properties

Compound Name1H-pyrazole;urea
PubChem CID66915476
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name1H-pyrazole;urea
SMILESNC(N)=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH4N2O/c1-2-4-5-3-1;2-1(3)4/h1-3H,(H,4,5);(H4,2,3,4)
InChIKeyIQFIWJDBZRZLNO-UHFFFAOYSA-N
XLogP-0.57
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;urea?
The IUPAC name of 1H-pyrazole;urea (CID 66915476) is 1H-pyrazole;urea.
What is the SMILES notation for 1H-pyrazole;urea?
The canonical SMILES for 1H-pyrazole;urea is NC(N)=O.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;urea?
The InChIKey is IQFIWJDBZRZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH4N2O/c1-2-4-5-3-1;2-1(3)4/h1-3H,(H,4,5);(H4,2,3,4).
What are the key properties of 1H-pyrazole;urea?
1H-pyrazole;urea has a molecular weight of 128.13 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;urea is sourced from PubChem (CID 66915476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).