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

C19H24N4O — CID 95197421

IUPAC(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H24N4O/c20-19(8-9-19)18(24)23-10-4-7-15(13-23)17-16(12-21-22-17)11-14-5-2-1-3-6-14/h1-3,5-6,12,15H,4,7-11,13,20H2,(H,21,22)/t15-/m0/s1
InChIKeyQQSGWHHXXMOPDA-HNNXBMFYSA-N
MW324.43 g/mol
LogP2.20
Rot. Bonds4

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

(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95197421) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95197421
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H24N4O/c20-19(8-9-19)18(24)23-10-4-7-15(13-23)17-16(12-21-22-17)11-14-5-2-1-3-6-14/h1-3,5-6,12,15H,4,7-11,13,20H2,(H,21,22)/t15-/m0/s1
InChIKeyQQSGWHHXXMOPDA-HNNXBMFYSA-N
XLogP2.20
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126467483
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70746215
6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218749
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95204664
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95225899
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56700469
3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
CID 56855128
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95197421) is (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is NC1(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QQSGWHHXXMOPDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-19(8-9-19)18(24)23-10-4-7-15(13-23)17-16(12-21-22-17)11-14-5-2-1-3-6-14/h1-3,5-6,12,15H,4,7-11,13,20H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95197421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).