7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate

C18H18N4O6 — CID 158478903

IUPAC7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate
SMILESCOC(=O)c1cc(C(=O)O)nc2ccnn12.COC(=O)c1ccc(CN)cc1
InChIInChI=1S/C9H7N3O4.C9H11NO2/c1-16-9(15)6-4-5(8(13)14)11-7-2-3-10-12(6)7;1-12-9(11)8-4-2-7(6-10)3-5-8/h2-4H,1H3,(H,13,14);2-5H,6,10H2,1H3
InChIKeyHHGVJZGKXXXDRC-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.15
Rot. Bonds4

About 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate

7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate (PubChem CID 158478903) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate.

Molecular Properties

Compound Name7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate
PubChem CID158478903
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate
SMILESCOC(=O)c1cc(C(=O)O)nc2ccnn12.COC(=O)c1ccc(CN)cc1
InChIInChI=1S/C9H7N3O4.C9H11NO2/c1-16-9(15)6-4-5(8(13)14)11-7-2-3-10-12(6)7;1-12-9(11)8-4-2-7(6-10)3-5-8/h2-4H,1H3,(H,13,14);2-5H,6,10H2,1H3
InChIKeyHHGVJZGKXXXDRC-UHFFFAOYSA-N
XLogP1.15
TPSA146.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[[3-[(chloroamino)methyl]phenyl]methylamino]cyclobut-3-ene-1,2-dione;7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157258488
7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59462465
3-amino-4-[[3-(aminomethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione;5-[[(1S)-1-(4-methoxycarbonylphenyl)ethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;hydrochloride
CID 158240307
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
dimethyl pyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate;methane;methyl 7-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 158473485
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
5-[(4-methoxycarbonylphenyl)methylcarbamoyl]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 70320563
3-carbamoyl-7-methoxycarbonyltriazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-[(1R)-1-aminoethyl]benzoate
CID 158137720
2,3-dihydro-1-benzofuran-5-ylmethanamine;7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;hydrochloride
CID 161396428
1H-indol-5-ylmethanamine;7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 158610114
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617

Frequently Asked Questions

What is the IUPAC name of 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate?
The IUPAC name of 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate (CID 158478903) is 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate.
What is the SMILES notation for 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate?
The canonical SMILES for 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate is COC(=O)c1cc(C(=O)O)nc2ccnn12.COC(=O)c1ccc(CN)cc1.
What is the InChIKey of 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate?
The InChIKey is HHGVJZGKXXXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4.C9H11NO2/c1-16-9(15)6-4-5(8(13)14)11-7-2-3-10-12(6)7;1-12-9(11)8-4-2-7(6-10)3-5-8/h2-4H,1H3,(H,13,14);2-5H,6,10H2,1H3.
What are the key properties of 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate?
7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate has a molecular weight of 386.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate is sourced from PubChem (CID 158478903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).