3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine

C22H27N5 — CID 70726892

IUPAC3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
SMILESc1ccc(-n2cccn2)c(CN2CCCC(c3nccn3CC3CC3)C2)c1
InChIInChI=1S/C22H27N5/c1-2-7-21(27-13-4-10-24-27)19(5-1)16-25-12-3-6-20(17-25)22-23-11-14-26(22)15-18-8-9-18/h1-2,4-5,7,10-11,13-14,18,20H,3,6,8-9,12,15-17H2
InChIKeyNCDYMMOTTIDWJJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.86
Rot. Bonds6

About 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine

3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine (PubChem CID 70726892) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
PubChem CID70726892
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
SMILESc1ccc(-n2cccn2)c(CN2CCCC(c3nccn3CC3CC3)C2)c1
InChIInChI=1S/C22H27N5/c1-2-7-21(27-13-4-10-24-27)19(5-1)16-25-12-3-6-20(17-25)22-23-11-14-26(22)15-18-8-9-18/h1-2,4-5,7,10-11,13-14,18,20H,3,6,8-9,12,15-17H2
InChIKeyNCDYMMOTTIDWJJ-UHFFFAOYSA-N
XLogP3.86
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
CID 70716309
2-[3-[1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072407
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97278039
(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97202491
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97280561
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 70748304
2-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 97203298
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97282581

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
The IUPAC name of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine (CID 70726892) is 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine is c1ccc(-n2cccn2)c(CN2CCCC(c3nccn3CC3CC3)C2)c1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
The InChIKey is NCDYMMOTTIDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-2-7-21(27-13-4-10-24-27)19(5-1)16-25-12-3-6-20(17-25)22-23-11-14-26(22)15-18-8-9-18/h1-2,4-5,7,10-11,13-14,18,20H,3,6,8-9,12,15-17H2.
What are the key properties of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine has a molecular weight of 361.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 70726892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).