3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine

C13H19N5 — CID 114706130

IUPAC3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
SMILESCn1nccc1Cn1cncc1C1CCCNC1
InChIInChI=1S/C13H19N5/c1-17-12(4-6-16-17)9-18-10-15-8-13(18)11-3-2-5-14-7-11/h4,6,8,10-11,14H,2-3,5,7,9H2,1H3
InChIKeyNFMQNDISQFLCJL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.13
Rot. Bonds3

About 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine

3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine (PubChem CID 114706130) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
PubChem CID114706130
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
SMILESCn1nccc1Cn1cncc1C1CCCNC1
InChIInChI=1S/C13H19N5/c1-17-12(4-6-16-17)9-18-10-15-8-13(18)11-3-2-5-14-7-11/h4,6,8,10-11,14H,2-3,5,7,9H2,1H3
InChIKeyNFMQNDISQFLCJL-UHFFFAOYSA-N
XLogP1.13
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine (CID 114706130) is 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine is Cn1nccc1Cn1cncc1C1CCCNC1.
What is the InChIKey of 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine?
The InChIKey is NFMQNDISQFLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-12(4-6-16-17)9-18-10-15-8-13(18)11-3-2-5-14-7-11/h4,6,8,10-11,14H,2-3,5,7,9H2,1H3.
What are the key properties of 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine?
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine has a molecular weight of 245.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114706130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).