(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone

C19H19N5O — CID 72838770

IUPAC(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C19H19N5O/c25-19(14-5-1-12(2-6-14)16-7-9-20-21-16)24-10-8-17-15(11-24)18(23-22-17)13-3-4-13/h1-2,5-7,9,13H,3-4,8,10-11H2,(H,20,21)(H,22,23)
InChIKeyIRNDIFJIPPWMIE-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.88
Rot. Bonds3

About (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone

(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 72838770) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID72838770
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C19H19N5O/c25-19(14-5-1-12(2-6-14)16-7-9-20-21-16)24-10-8-17-15(11-24)18(23-22-17)13-3-4-13/h1-2,5-7,9,13H,3-4,8,10-11H2,(H,20,21)(H,22,23)
InChIKeyIRNDIFJIPPWMIE-UHFFFAOYSA-N
XLogP2.88
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 31073625
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 39826456
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 72897730
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
CID 31106795
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 72905498
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone
CID 155503122
cyclopropyl-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571091
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 29029650
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 126443103

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 72838770) is (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is IRNDIFJIPPWMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(14-5-1-12(2-6-14)16-7-9-20-21-16)24-10-8-17-15(11-24)18(23-22-17)13-3-4-13/h1-2,5-7,9,13H,3-4,8,10-11H2,(H,20,21)(H,22,23).
What are the key properties of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 333.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 72838770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).