3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C14H19N3O3 — CID 19620276

IUPAC3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCn1ccc(CNC(=O)C2C3CCC(C3)C2C(=O)O)n1
InChIInChI=1S/C14H19N3O3/c1-17-5-4-10(16-17)7-15-13(18)11-8-2-3-9(6-8)12(11)14(19)20/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H,15,18)(H,19,20)
InChIKeyPFDGXQRKIAZBOX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.78
Rot. Bonds4

About 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 19620276) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID19620276
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCn1ccc(CNC(=O)C2C3CCC(C3)C2C(=O)O)n1
InChIInChI=1S/C14H19N3O3/c1-17-5-4-10(16-17)7-15-13(18)11-8-2-3-9(6-8)12(11)14(19)20/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H,15,18)(H,19,20)
InChIKeyPFDGXQRKIAZBOX-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpyrazol-3-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 82868704
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620296
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
(1S,2R,3S,4S)-3-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124717713
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6470275
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116580777
2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873603
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82881615

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 19620276) is 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is Cn1ccc(CNC(=O)C2C3CCC(C3)C2C(=O)O)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is PFDGXQRKIAZBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-5-4-10(16-17)7-15-13(18)11-8-2-3-9(6-8)12(11)14(19)20/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 19620276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).