2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine

C19H17N9 — CID 91561698

IUPAC2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine
SMILESc1cc(C(c2ccnc(C(c3ccn[nH]3)c3ccn[nH]3)c2)c2ccn[nH]2)[nH]n1
InChIInChI=1S/C19H17N9/c1-6-20-17(19(15-4-9-23-27-15)16-5-10-24-28-16)11-12(1)18(13-2-7-21-25-13)14-3-8-22-26-14/h1-11,18-19H,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyRJKJIKOUZIIDKH-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.33
Rot. Bonds6

About 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine

2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine (PubChem CID 91561698) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine.

Molecular Properties

Compound Name2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine
PubChem CID91561698
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine
SMILESc1cc(C(c2ccnc(C(c3ccn[nH]3)c3ccn[nH]3)c2)c2ccn[nH]2)[nH]n1
InChIInChI=1S/C19H17N9/c1-6-20-17(19(15-4-9-23-27-15)16-5-10-24-28-16)11-12(1)18(13-2-7-21-25-13)14-3-8-22-26-14/h1-11,18-19H,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyRJKJIKOUZIIDKH-UHFFFAOYSA-N
XLogP2.33
TPSA127.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
The IUPAC name of 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine (CID 91561698) is 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine.
What is the SMILES notation for 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
The canonical SMILES for 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine is c1cc(C(c2ccnc(C(c3ccn[nH]3)c3ccn[nH]3)c2)c2ccn[nH]2)[nH]n1.
What is the InChIKey of 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
The InChIKey is RJKJIKOUZIIDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c1-6-20-17(19(15-4-9-23-27-15)16-5-10-24-28-16)11-12(1)18(13-2-7-21-25-13)14-3-8-22-26-14/h1-11,18-19H,(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine has a molecular weight of 371.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[bis(1H-pyrazol-5-yl)methyl]pyridine is sourced from PubChem (CID 91561698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).