7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C8H6N4O3 — CID 59462465

IUPAC7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)nc2ccnn12
InChIInChI=1S/C8H6N4O3/c9-7(13)5-3-4(8(14)15)11-6-1-2-10-12(5)6/h1-3H,(H2,9,13)(H,14,15)
InChIKeyQFBRZLALBVAUIL-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.47
Rot. Bonds2

About 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 59462465) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID59462465
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)nc2ccnn12
InChIInChI=1S/C8H6N4O3/c9-7(13)5-3-4(8(14)15)11-6-1-2-10-12(5)6/h1-3H,(H2,9,13)(H,14,15)
InChIKeyQFBRZLALBVAUIL-UHFFFAOYSA-N
XLogP-0.47
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate
CID 158478903
7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84610446
5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63823374
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617
10-amino-8-methyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-11-carboxylic acid
CID 21389170
5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091062
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
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075
5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 90908407
1-[4-(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850426
morpholin-4-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53015026

Frequently Asked Questions

What is the IUPAC name of 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 59462465) is 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is NC(=O)c1cc(C(=O)O)nc2ccnn12.
What is the InChIKey of 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is QFBRZLALBVAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-7(13)5-3-4(8(14)15)11-6-1-2-10-12(5)6/h1-3H,(H2,9,13)(H,14,15).
What are the key properties of 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbamoylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 59462465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).