7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H12N4O2 — CID 136775845

IUPAC7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNCC1CCNc2c(C(=O)O)cnn21
InChIInChI=1S/C8H12N4O2/c9-3-5-1-2-10-7-6(8(13)14)4-11-12(5)7/h4-5,10H,1-3,9H2,(H,13,14)
InChIKeyAODRAKZHHHVRKQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.10
Rot. Bonds2

About 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 136775845) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID136775845
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNCC1CCNc2c(C(=O)O)cnn21
InChIInChI=1S/C8H12N4O2/c9-3-5-1-2-10-7-6(8(13)14)4-11-12(5)7/h4-5,10H,1-3,9H2,(H,13,14)
InChIKeyAODRAKZHHHVRKQ-UHFFFAOYSA-N
XLogP-0.10
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137011941
7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 136775856
ethyl 7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136688030
7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839508
7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839551
(2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136838075
7-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839494
7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
CID 136933850
5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
CID 84657830
1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
CID 115013687
7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137012092
7-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839493

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 136775845) is 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is NCC1CCNc2c(C(=O)O)cnn21.
What is the InChIKey of 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is AODRAKZHHHVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-3-5-1-2-10-7-6(8(13)14)4-11-12(5)7/h4-5,10H,1-3,9H2,(H,13,14).
What are the key properties of 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 136775845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).