2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine

C12H17N5 — CID 114705336

IUPAC2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine
SMILESc1n[nH]cc1Cn1cncc1C1CCCCN1
InChIInChI=1S/C12H17N5/c1-2-4-14-11(3-1)12-7-13-9-17(12)8-10-5-15-16-6-10/h5-7,9,11,14H,1-4,8H2,(H,15,16)
InChIKeyIOBOUBXOQFWHSC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds3

About 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine

2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine (PubChem CID 114705336) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine
PubChem CID114705336
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine
SMILESc1n[nH]cc1Cn1cncc1C1CCCCN1
InChIInChI=1S/C12H17N5/c1-2-4-14-11(3-1)12-7-13-9-17(12)8-10-5-15-16-6-10/h5-7,9,11,14H,1-4,8H2,(H,15,16)
InChIKeyIOBOUBXOQFWHSC-UHFFFAOYSA-N
XLogP1.47
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
2-methoxy-4-[(5-piperidin-2-ylimidazol-1-yl)methyl]pyridine
CID 114705840
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]piperidine
CID 114706178
ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate
CID 114704303

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine (CID 114705336) is 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine is c1n[nH]cc1Cn1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine?
The InChIKey is IOBOUBXOQFWHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-4-14-11(3-1)12-7-13-9-17(12)8-10-5-15-16-6-10/h5-7,9,11,14H,1-4,8H2,(H,15,16).
What are the key properties of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine?
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine has a molecular weight of 231.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).