(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C16H22N4O2 — CID 95611636

IUPAC(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccco1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H22N4O2/c1-13(16(21)17-11-15-6-3-10-22-15)20-9-2-5-14(20)12-19-8-4-7-18-19/h3-4,6-8,10,13-14H,2,5,9,11-12H2,1H3,(H,17,21)/t13-,14-/m1/s1
InChIKeyTXTCSAGYDHUVHM-ZIAGYGMSSA-N
MW302.38 g/mol
LogP1.65
Rot. Bonds6

About (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95611636) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95611636
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccco1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H22N4O2/c1-13(16(21)17-11-15-6-3-10-22-15)20-9-2-5-14(20)12-19-8-4-7-18-19/h3-4,6-8,10,13-14H,2,5,9,11-12H2,1H3,(H,17,21)/t13-,14-/m1/s1
InChIKeyTXTCSAGYDHUVHM-ZIAGYGMSSA-N
XLogP1.65
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
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(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
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1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95611636) is (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NCc1ccco1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is TXTCSAGYDHUVHM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(16(21)17-11-15-6-3-10-22-15)20-9-2-5-14(20)12-19-8-4-7-18-19/h3-4,6-8,10,13-14H,2,5,9,11-12H2,1H3,(H,17,21)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95611636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).