(2,5-dimethylpyrazol-3-yl)methylcarbamic acid

C7H11N3O2 — CID 89158274

IUPAC(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)n(C)n1
InChIInChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyGIQHHEQBVBVTAS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.50
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)methylcarbamic acid

(2,5-dimethylpyrazol-3-yl)methylcarbamic acid (PubChem CID 89158274) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
PubChem CID89158274
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)n(C)n1
InChIInChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyGIQHHEQBVBVTAS-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
N-[(1,3-Dimethyl-1H-Pyrazol-5-Yl)Methyl]-N-Methylamine
CID 23005845
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine hydrochloride
CID 45157159
methyl [(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]carbamate
CID 70721386
tert-butyl ((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)methyl)carbamate
CID 75175985
N-methyl-1-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanamine
CID 60136591
1-[(1,5-Dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea
CID 25119847
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide
CID 67477588
[1-(Cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
CID 67496786
[1-Pentyl-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
CID 68299541
[1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
CID 68299550

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)methylcarbamic acid?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)methylcarbamic acid (CID 89158274) is (2,5-dimethylpyrazol-3-yl)methylcarbamic acid.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)methylcarbamic acid?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)methylcarbamic acid is Cc1cc(CNC(=O)O)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)methylcarbamic acid?
The InChIKey is GIQHHEQBVBVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12).
What are the key properties of (2,5-dimethylpyrazol-3-yl)methylcarbamic acid?
(2,5-dimethylpyrazol-3-yl)methylcarbamic acid has a molecular weight of 169.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)methylcarbamic acid is sourced from PubChem (CID 89158274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).