3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C14H17N5 — CID 72929132

IUPAC3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1ccnc(N2CCc3[nH]nc(C4CC4)c3C2)n1
InChIInChI=1S/C14H17N5/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(18-17-12)10-2-3-10/h4,6,10H,2-3,5,7-8H2,1H3,(H,17,18)
InChIKeyLWWIVYUXLNJMDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.95
Rot. Bonds2

About 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 72929132) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID72929132
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1ccnc(N2CCc3[nH]nc(C4CC4)c3C2)n1
InChIInChI=1S/C14H17N5/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(18-17-12)10-2-3-10/h4,6,10H,2-3,5,7-8H2,1H3,(H,17,18)
InChIKeyLWWIVYUXLNJMDA-UHFFFAOYSA-N
XLogP1.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 72929132) is 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1ccnc(N2CCc3[nH]nc(C4CC4)c3C2)n1.
What is the InChIKey of 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is LWWIVYUXLNJMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-4-6-15-14(16-9)19-7-5-12-11(8-19)13(18-17-12)10-2-3-10/h4,6,10H,2-3,5,7-8H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 255.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72929132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).