5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H17F2N3 — CID 26394744

IUPAC5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CN(CC2CC2)CC3)cc1F
InChIInChI=1S/C16H17F2N3/c17-13-4-3-11(7-14(13)18)16-12-9-21(8-10-1-2-10)6-5-15(12)19-20-16/h3-4,7,10H,1-2,5-6,8-9H2,(H,19,20)
InChIKeyHGPKZRMJIMASTJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.12
Rot. Bonds3

About 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 26394744) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID26394744
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3c2CN(CC2CC2)CC3)cc1F
InChIInChI=1S/C16H17F2N3/c17-13-4-3-11(7-14(13)18)16-12-9-21(8-10-1-2-10)6-5-15(12)19-20-16/h3-4,7,10H,1-2,5-6,8-9H2,(H,19,20)
InChIKeyHGPKZRMJIMASTJ-UHFFFAOYSA-N
XLogP3.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 26394744) is 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1ccc(-c2n[nH]c3c2CN(CC2CC2)CC3)cc1F.
What is the InChIKey of 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is HGPKZRMJIMASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-13-4-3-11(7-14(13)18)16-12-9-21(8-10-1-2-10)6-5-15(12)19-20-16/h3-4,7,10H,1-2,5-6,8-9H2,(H,19,20).
What are the key properties of 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 289.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 26394744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).