pyrazol-1-ylmethylcarbamic acid;hydrochloride

C5H8ClN3O2 — CID 70297363

IUPACpyrazol-1-ylmethylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NCn1cccn1
InChIInChI=1S/C5H7N3O2.ClH/c9-5(10)6-4-8-3-1-2-7-8;/h1-3,6H,4H2,(H,9,10);1H
InChIKeyRLXIQVFETXEENE-UHFFFAOYSA-N
MW177.59 g/mol
LogP0.53
Rot. Bonds2

About pyrazol-1-ylmethylcarbamic acid;hydrochloride

pyrazol-1-ylmethylcarbamic acid;hydrochloride (PubChem CID 70297363) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is pyrazol-1-ylmethylcarbamic acid;hydrochloride.

Molecular Properties

Compound Namepyrazol-1-ylmethylcarbamic acid;hydrochloride
PubChem CID70297363
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Namepyrazol-1-ylmethylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NCn1cccn1
InChIInChI=1S/C5H7N3O2.ClH/c9-5(10)6-4-8-3-1-2-7-8;/h1-3,6H,4H2,(H,9,10);1H
InChIKeyRLXIQVFETXEENE-UHFFFAOYSA-N
XLogP0.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70404120
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3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide
CID 123590520
2-(pyrazol-1-ylmethylsulfanyl)acetic acid
CID 107421560
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
3-methyl-4-pyrazol-1-ylbut-2-enoic acid
CID 77005716
amino 2-pyrazol-1-ylacetate
CID 175809673
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylmethylcarbamic acid;hydrochloride?
The IUPAC name of pyrazol-1-ylmethylcarbamic acid;hydrochloride (CID 70297363) is pyrazol-1-ylmethylcarbamic acid;hydrochloride.
What is the SMILES notation for pyrazol-1-ylmethylcarbamic acid;hydrochloride?
The canonical SMILES for pyrazol-1-ylmethylcarbamic acid;hydrochloride is Cl.O=C(O)NCn1cccn1.
What is the InChIKey of pyrazol-1-ylmethylcarbamic acid;hydrochloride?
The InChIKey is RLXIQVFETXEENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c9-5(10)6-4-8-3-1-2-7-8;/h1-3,6H,4H2,(H,9,10);1H.
What are the key properties of pyrazol-1-ylmethylcarbamic acid;hydrochloride?
pyrazol-1-ylmethylcarbamic acid;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylmethylcarbamic acid;hydrochloride is sourced from PubChem (CID 70297363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).