4-(1H-pyrazol-5-ylmethyl)pyridine

C9H9N3 — CID 57052578

IUPAC4-(1H-pyrazol-5-ylmethyl)pyridine
SMILESc1cc(Cc2ccn[nH]2)ccn1
InChIInChI=1S/C9H9N3/c1-4-10-5-2-8(1)7-9-3-6-11-12-9/h1-6H,7H2,(H,11,12)
InChIKeyZCNSMDQVQYEMGC-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.40
Rot. Bonds2

About 4-(1H-pyrazol-5-ylmethyl)pyridine

4-(1H-pyrazol-5-ylmethyl)pyridine (PubChem CID 57052578) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylmethyl)pyridine.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylmethyl)pyridine
PubChem CID57052578
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-(1H-pyrazol-5-ylmethyl)pyridine
SMILESc1cc(Cc2ccn[nH]2)ccn1
InChIInChI=1S/C9H9N3/c1-4-10-5-2-8(1)7-9-3-6-11-12-9/h1-6H,7H2,(H,11,12)
InChIKeyZCNSMDQVQYEMGC-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(1H-pyrazol-5-ylmethyl)phenyl]methanone
CID 118549359
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole
CID 18736779
3-(1H-pyrazol-5-ylmethyl)aniline
CID 96630636
6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
CID 67285058
5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole
CID 174890629
4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine
CID 173201433
5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole
CID 118798785
4-(1H-pyrazol-5-yloxymethyl)pyridine
CID 164914774
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1H-pyrazol-5-ylmethanamine;dihydrochloride
CID 23055691
5-(2-bromoethyl)-1H-pyrazole
CID 565479

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-ylmethyl)pyridine?
The IUPAC name of 4-(1H-pyrazol-5-ylmethyl)pyridine (CID 57052578) is 4-(1H-pyrazol-5-ylmethyl)pyridine.
What is the SMILES notation for 4-(1H-pyrazol-5-ylmethyl)pyridine?
The canonical SMILES for 4-(1H-pyrazol-5-ylmethyl)pyridine is c1cc(Cc2ccn[nH]2)ccn1.
What is the InChIKey of 4-(1H-pyrazol-5-ylmethyl)pyridine?
The InChIKey is ZCNSMDQVQYEMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-4-10-5-2-8(1)7-9-3-6-11-12-9/h1-6H,7H2,(H,11,12).
What are the key properties of 4-(1H-pyrazol-5-ylmethyl)pyridine?
4-(1H-pyrazol-5-ylmethyl)pyridine has a molecular weight of 159.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylmethyl)pyridine is sourced from PubChem (CID 57052578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).