3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide

C10H8N6O — CID 174626130

IUPAC3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2cc3ncncc3[nH]2)n[nH]1
InChIInChI=1S/C10H8N6O/c11-10(17)8-2-7(15-16-8)6-1-5-9(14-6)3-12-4-13-5/h1-4,14H,(H2,11,17)(H,15,16)
InChIKeyPGNBTZRXTMTGPO-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.45
Rot. Bonds2

About 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide

3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide (PubChem CID 174626130) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide
PubChem CID174626130
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2cc3ncncc3[nH]2)n[nH]1
InChIInChI=1S/C10H8N6O/c11-10(17)8-2-7(15-16-8)6-1-5-9(14-6)3-12-4-13-5/h1-4,14H,(H2,11,17)(H,15,16)
InChIKeyPGNBTZRXTMTGPO-UHFFFAOYSA-N
XLogP0.45
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 175702087
formonitrile;1H-pyrazolo[4,3-d]pyrimidine
CID 159271837
3-(4-amino-3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 167949748
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 151076483
carbonic acid;5H-pyrrolo[3,2-d]pyrimidine
CID 174832264
1H-imidazole-2,5-dicarboxamide
CID 1382218
4-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175752566
ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
CID 144792699
3-[4-(4-chlorocyclohepta-1,4,6-trien-1-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 142080048
CID 175543320
CID 175543320
N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67251691

Frequently Asked Questions

What is the IUPAC name of 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide (CID 174626130) is 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2cc3ncncc3[nH]2)n[nH]1.
What is the InChIKey of 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PGNBTZRXTMTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-10(17)8-2-7(15-16-8)6-1-5-9(14-6)3-12-4-13-5/h1-4,14H,(H2,11,17)(H,15,16).
What are the key properties of 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide?
3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 228.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 174626130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).