1H-pyrazol-4-ylcarbamic acid

C8H10N6O4 — CID 66846919

IUPAC1H-pyrazol-4-ylcarbamic acid
SMILESO=C(O)Nc1cn[nH]c1.O=C(O)Nc1cn[nH]c1
InChIInChI=1S/2C4H5N3O2/c2*8-4(9)7-3-1-5-6-2-3/h2*1-2,7H,(H,5,6)(H,8,9)
InChIKeyFFFGWASSLLVDSG-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.00
Rot. Bonds2

About 1H-pyrazol-4-ylcarbamic acid

1H-pyrazol-4-ylcarbamic acid (PubChem CID 66846919) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1H-pyrazol-4-ylcarbamic acid.

Molecular Properties

Compound Name1H-pyrazol-4-ylcarbamic acid
PubChem CID66846919
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name1H-pyrazol-4-ylcarbamic acid
SMILESO=C(O)Nc1cn[nH]c1.O=C(O)Nc1cn[nH]c1
InChIInChI=1S/2C4H5N3O2/c2*8-4(9)7-3-1-5-6-2-3/h2*1-2,7H,(H,5,6)(H,8,9)
InChIKeyFFFGWASSLLVDSG-UHFFFAOYSA-N
XLogP1.00
TPSA156.02 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.21
LogP ≤ 51.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
CID 43540349
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429565
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
N-(1H-pyrazol-4-yl)but-2-ynamide;hydrochloride
CID 155820287
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215
1-(1H-pyrazol-4-ylcarbamoyl)cycloheptane-1-carboxylic acid
CID 138033225

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylcarbamic acid?
The IUPAC name of 1H-pyrazol-4-ylcarbamic acid (CID 66846919) is 1H-pyrazol-4-ylcarbamic acid.
What is the SMILES notation for 1H-pyrazol-4-ylcarbamic acid?
The canonical SMILES for 1H-pyrazol-4-ylcarbamic acid is O=C(O)Nc1cn[nH]c1.O=C(O)Nc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylcarbamic acid?
The InChIKey is FFFGWASSLLVDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N3O2/c2*8-4(9)7-3-1-5-6-2-3/h2*1-2,7H,(H,5,6)(H,8,9).
What are the key properties of 1H-pyrazol-4-ylcarbamic acid?
1H-pyrazol-4-ylcarbamic acid has a molecular weight of 254.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylcarbamic acid is sourced from PubChem (CID 66846919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).