3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H23N5O — CID 42194500

IUPAC3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(CCCn2cccn2)CC3)c1
InChIInChI=1S/C19H23N5O/c1-25-16-6-2-5-15(13-16)19-17-14-23(12-7-18(17)21-22-19)9-4-11-24-10-3-8-20-24/h2-3,5-6,8,10,13H,4,7,9,11-12,14H2,1H3,(H,21,22)
InChIKeyCBCMIXFSQKVNAR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.73
Rot. Bonds6

About 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 42194500) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID42194500
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(CCCn2cccn2)CC3)c1
InChIInChI=1S/C19H23N5O/c1-25-16-6-2-5-15(13-16)19-17-14-23(12-7-18(17)21-22-19)9-4-11-24-10-3-8-20-24/h2-3,5-6,8,10,13H,4,7,9,11-12,14H2,1H3,(H,21,22)
InChIKeyCBCMIXFSQKVNAR-UHFFFAOYSA-N
XLogP2.73
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538604
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536007
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539744
3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538129
3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536510
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45242211
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
CID 110539705
[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 42510874

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 42194500) is 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1cccc(-c2n[nH]c3c2CN(CCCn2cccn2)CC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CBCMIXFSQKVNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-25-16-6-2-5-15(13-16)19-17-14-23(12-7-18(17)21-22-19)9-4-11-24-10-3-8-20-24/h2-3,5-6,8,10,13H,4,7,9,11-12,14H2,1H3,(H,21,22).
What are the key properties of 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 337.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 42194500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).