N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide

C16H26N4O3 — CID 146118992

IUPACN-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1C1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-12(21)18-13-8-17-20(9-13)15-7-16(11-22-2)19(10-15)14-3-5-23-6-4-14/h8-9,14-16H,3-7,10-11H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyOKLIANKRLJGHHB-HOTGVXAUSA-N
MW322.41 g/mol
LogP1.28
Rot. Bonds5

About N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide

N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide (PubChem CID 146118992) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
PubChem CID146118992
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1C1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-12(21)18-13-8-17-20(9-13)15-7-16(11-22-2)19(10-15)14-3-5-23-6-4-14/h8-9,14-16H,3-7,10-11H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyOKLIANKRLJGHHB-HOTGVXAUSA-N
XLogP1.28
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 71810282
N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146119028
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
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N-[1-[(3S,5S)-1-cyclohexyl-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119303
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119052
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide (CID 146118992) is N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide is COC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1C1CCOCC1.
What is the InChIKey of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is OKLIANKRLJGHHB-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(21)18-13-8-17-20(9-13)15-7-16(11-22-2)19(10-15)14-3-5-23-6-4-14/h8-9,14-16H,3-7,10-11H2,1-2H3,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 146118992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).