4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride

C18H21ClN4O3 — CID 155255268

IUPAC4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride
SMILESCN(C(=O)c1cnn2c1CNCC2)C1(c2ccc(C(=O)O)cc2)CC1.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-21(16(23)14-10-20-22-9-8-19-11-15(14)22)18(6-7-18)13-4-2-12(3-5-13)17(24)25;/h2-5,10,19H,6-9,11H2,1H3,(H,24,25);1H
InChIKeyJPICCSASTJIWJT-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.87
Rot. Bonds4

About 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride

4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride (PubChem CID 155255268) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride
PubChem CID155255268
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride
SMILESCN(C(=O)c1cnn2c1CNCC2)C1(c2ccc(C(=O)O)cc2)CC1.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-21(16(23)14-10-20-22-9-8-19-11-15(14)22)18(6-7-18)13-4-2-12(3-5-13)17(24)25;/h2-5,10,19H,6-9,11H2,1H3,(H,24,25);1H
InChIKeyJPICCSASTJIWJT-UHFFFAOYSA-N
XLogP1.87
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride (CID 155255268) is 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride is CN(C(=O)c1cnn2c1CNCC2)C1(c2ccc(C(=O)O)cc2)CC1.Cl.
What is the InChIKey of 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride?
The InChIKey is JPICCSASTJIWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.ClH/c1-21(16(23)14-10-20-22-9-8-19-11-15(14)22)18(6-7-18)13-4-2-12(3-5-13)17(24)25;/h2-5,10,19H,6-9,11H2,1H3,(H,24,25);1H.
What are the key properties of 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride?
4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carbonyl)amino]cyclopropyl]benzoic acid;hydrochloride is sourced from PubChem (CID 155255268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).