(1,5-dimethylpyrazol-3-yl)-methylcarbamic acid

C7H11N3O2 — CID 141341116

IUPAC(1,5-dimethylpyrazol-3-yl)-methylcarbamic acid
SMILESCc1cc(N(C)C(=O)O)nn1C
InChIInChI=1S/C7H11N3O2/c1-5-4-6(8-10(5)3)9(2)7(11)12/h4H,1-3H3,(H,11,12)
InChIKeyKUTKTLFKZBHRSM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.84
Rot. Bonds1

About (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid

(1,5-dimethylpyrazol-3-yl)-methylcarbamic acid (PubChem CID 141341116) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-methylcarbamic acid
PubChem CID141341116
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(1,5-dimethylpyrazol-3-yl)-methylcarbamic acid
SMILESCc1cc(N(C)C(=O)O)nn1C
InChIInChI=1S/C7H11N3O2/c1-5-4-6(8-10(5)3)9(2)7(11)12/h4H,1-3H3,(H,11,12)
InChIKeyKUTKTLFKZBHRSM-UHFFFAOYSA-N
XLogP0.84
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
CID 67496788
Methyl-[1-pentyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 68299542
[1-Amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
CID 68786438
[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamic acid
CID 71150272
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 91480610
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
CID 117697827
[3-(Difluoromethyl)-1-methylpyrazol-5-yl]carbamic acid
CID 117775416
4-Hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one
CID 123142877
N,N,1,5-tetramethylpyrazol-3-amine
CID 13813347
N,N,2,5-tetramethylpyrazol-3-amine
CID 13813349
5-Isocyanato-1,3-dimethyl-1H-pyrazole
CID 17750408
3-Amino-5-methylpyrazole-1-carboxylic acid
CID 21106532

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid (CID 141341116) is (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid is Cc1cc(N(C)C(=O)O)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid?
The InChIKey is KUTKTLFKZBHRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-4-6(8-10(5)3)9(2)7(11)12/h4H,1-3H3,(H,11,12).
What are the key properties of (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid?
(1,5-dimethylpyrazol-3-yl)-methylcarbamic acid has a molecular weight of 169.18 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-methylcarbamic acid is sourced from PubChem (CID 141341116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).