[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone

C22H30N4O — CID 95206961

IUPAC[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
SMILESCCN1CC[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C1
InChIInChI=1S/C22H30N4O/c1-2-25-11-8-19(16-25)22(27)26-12-9-18(10-13-26)21-15-20(23-24-21)14-17-6-4-3-5-7-17/h3-7,15,18-19H,2,8-14,16H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyAKQKNXRIVNQLRW-IBGZPJMESA-N
MW366.51 g/mol
LogP3.05
Rot. Bonds5

About [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone

[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone (PubChem CID 95206961) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
PubChem CID95206961
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
SMILESCCN1CC[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C1
InChIInChI=1S/C22H30N4O/c1-2-25-11-8-19(16-25)22(27)26-12-9-18(10-13-26)21-15-20(23-24-21)14-17-6-4-3-5-7-17/h3-7,15,18-19H,2,8-14,16H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyAKQKNXRIVNQLRW-IBGZPJMESA-N
XLogP3.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 155501278
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 56705721
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 95228912
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 56712711
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56717699
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 56714296
[3-(1-ethylpyrrolidin-3-yl)-1H-pyrazol-5-yl]methanamine
CID 115092182
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one
CID 171912404
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243

Frequently Asked Questions

What is the IUPAC name of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone?
The IUPAC name of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone (CID 95206961) is [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone is CCN1CC[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C1.
What is the InChIKey of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone?
The InChIKey is AKQKNXRIVNQLRW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-25-11-8-19(16-25)22(27)26-12-9-18(10-13-26)21-15-20(23-24-21)14-17-6-4-3-5-7-17/h3-7,15,18-19H,2,8-14,16H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone?
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 95206961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).