1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine

C14H20N4 — CID 73439904

IUPAC1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCn1cccc1CN1CCCCC1c1ccn[nH]1
InChIInChI=1S/C14H20N4/c1-17-9-4-5-12(17)11-18-10-3-2-6-14(18)13-7-8-15-16-13/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H,15,16)
InChIKeyLWWFSFGZOVCTJG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds3

About 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine

1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 73439904) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
PubChem CID73439904
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCn1cccc1CN1CCCCC1c1ccn[nH]1
InChIInChI=1S/C14H20N4/c1-17-9-4-5-12(17)11-18-10-3-2-6-14(18)13-7-8-15-16-13/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H,15,16)
InChIKeyLWWFSFGZOVCTJG-UHFFFAOYSA-N
XLogP2.48
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 124992115
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 124969207
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 154794150
5-methyl-3-[[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 110269409

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine (CID 73439904) is 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine is Cn1cccc1CN1CCCCC1c1ccn[nH]1.
What is the InChIKey of 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is LWWFSFGZOVCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-9-4-5-12(17)11-18-10-3-2-6-14(18)13-7-8-15-16-13/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H,15,16).
What are the key properties of 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 244.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 73439904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).