4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine

C19H34N4 — CID 26317491

IUPAC4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
SMILESCCn1cc(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)cn1
InChIInChI=1S/C19H34N4/c1-4-23-14-17(11-20-23)13-22-10-7-19(15-22)18-5-8-21(9-6-18)12-16(2)3/h11,14,16,18-19H,4-10,12-13,15H2,1-3H3/t19-/m1/s1
InChIKeyQSALWARIKSSENW-LJQANCHMSA-N
MW318.51 g/mol
LogP3.09
Rot. Bonds6

About 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine

4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine (PubChem CID 26317491) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
PubChem CID26317491
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
SMILESCCn1cc(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)cn1
InChIInChI=1S/C19H34N4/c1-4-23-14-17(11-20-23)13-22-10-7-19(15-22)18-5-8-21(9-6-18)12-16(2)3/h11,14,16,18-19H,4-10,12-13,15H2,1-3H3/t19-/m1/s1
InChIKeyQSALWARIKSSENW-LJQANCHMSA-N
XLogP3.09
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843387
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine (CID 26317491) is 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine is CCn1cc(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)cn1.
What is the InChIKey of 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine?
The InChIKey is QSALWARIKSSENW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H34N4/c1-4-23-14-17(11-20-23)13-22-10-7-19(15-22)18-5-8-21(9-6-18)12-16(2)3/h11,14,16,18-19H,4-10,12-13,15H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine?
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine has a molecular weight of 318.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 26317491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).