(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C16H26N4O3 — CID 124571375

IUPAC(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)CCOCC1
InChIInChI=1S/C16H26N4O3/c1-19-10-14(9-18-19)13-3-6-20(11-13)15(21)17-12-16(22-2)4-7-23-8-5-16/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeySIWKQHWGWLFRMJ-ZDUSSCGKSA-N
MW322.41 g/mol
LogP1.11
Rot. Bonds4

About (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 124571375) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID124571375
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)CCOCC1
InChIInChI=1S/C16H26N4O3/c1-19-10-14(9-18-19)13-3-6-20(11-13)15(21)17-12-16(22-2)4-7-23-8-5-16/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeySIWKQHWGWLFRMJ-ZDUSSCGKSA-N
XLogP1.11
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
CID 128686364
(3S,4R)-N-(2-fluoro-2-methylpropyl)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 138019925
3-[2-(1-Methylpyrazol-4-yl)ethyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 71892886
[(3S,4R)-1-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]urea
CID 175767509
Tert-butyl 3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolidine-1-carboxylate
CID 175896011
1-[[4-(2-Methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 51083725
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 53497998
N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865675
N-[2-(3-methylmorpholin-4-yl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865686
N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71925245
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71982722

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 124571375) is (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is COC1(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)CCOCC1.
What is the InChIKey of (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is SIWKQHWGWLFRMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-19-10-14(9-18-19)13-3-6-20(11-13)15(21)17-12-16(22-2)4-7-23-8-5-16/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124571375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).