4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

C18H26N4O — CID 110202856

IUPAC4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine
SMILESCCn1ncc(CN2C[C@@H](COC)[C@H](c3ccncc3)C2)c1C
InChIInChI=1S/C18H26N4O/c1-4-22-14(2)16(9-20-22)10-21-11-17(13-23-3)18(12-21)15-5-7-19-8-6-15/h5-9,17-18H,4,10-13H2,1-3H3/t17-,18-/m0/s1
InChIKeyGTSNJRZOWHHLGP-ROUUACIJSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds6

About 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine (PubChem CID 110202856) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine
PubChem CID110202856
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine
SMILESCCn1ncc(CN2C[C@@H](COC)[C@H](c3ccncc3)C2)c1C
InChIInChI=1S/C18H26N4O/c1-4-22-14(2)16(9-20-22)10-21-11-17(13-23-3)18(12-21)15-5-7-19-8-6-15/h5-9,17-18H,4,10-13H2,1-3H3/t17-,18-/m0/s1
InChIKeyGTSNJRZOWHHLGP-ROUUACIJSA-N
XLogP2.47
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2,3-Dimethyl-4-(1-phenylpyrazol-4-yl)pyridine
CID 70683532
2-[3-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-4-trifluoromethyl-pyridine
CID 121347799
(3-{[(1-Ethyl-3,5-dimethylpyrazol-4-YL)methyl](pyridin-2-ylmethyl)amino}propyl)dimethylamine
CID 46954018
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954055
3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
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(2-{[(3,5-Dimethyl-1-propylpyrazol-4-YL)methyl](pyridin-2-ylmethyl)amino}ethyl)dimethylamine
CID 46954082
N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961967
N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46961974
2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}propan-1-amine
CID 46988232
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 46991461

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine (CID 110202856) is 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine is CCn1ncc(CN2C[C@@H](COC)[C@H](c3ccncc3)C2)c1C.
What is the InChIKey of 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine?
The InChIKey is GTSNJRZOWHHLGP-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-22-14(2)16(9-20-22)10-21-11-17(13-23-3)18(12-21)15-5-7-19-8-6-15/h5-9,17-18H,4,10-13H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine?
4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine has a molecular weight of 314.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 110202856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).