(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide

C16H23F2N5O2 — CID 168936120

IUPAC(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
SMILESN[C@H](C(=O)Nc1cnn(CC2CCNC2=O)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H23F2N5O2/c17-16(18)4-1-10(2-5-16)13(19)15(25)22-12-7-21-23(9-12)8-11-3-6-20-14(11)24/h7,9-11,13H,1-6,8,19H2,(H,20,24)(H,22,25)/t11?,13-/m0/s1
InChIKeyMBQXOGGSUMKTCI-YUZLPWPTSA-N
MW355.39 g/mol
LogP1.11
Rot. Bonds5

About (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide

(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide (PubChem CID 168936120) has the molecular formula C16H23F2N5O2 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
PubChem CID168936120
Molecular FormulaC16H23F2N5O2
Molecular Weight355.39 g/mol
Exact Mass355.18
IUPAC Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
SMILESN[C@H](C(=O)Nc1cnn(CC2CCNC2=O)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H23F2N5O2/c17-16(18)4-1-10(2-5-16)13(19)15(25)22-12-7-21-23(9-12)8-11-3-6-20-14(11)24/h7,9-11,13H,1-6,8,19H2,(H,20,24)(H,22,25)/t11?,13-/m0/s1
InChIKeyMBQXOGGSUMKTCI-YUZLPWPTSA-N
XLogP1.11
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide (CID 168936120) is (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide is N[C@H](C(=O)Nc1cnn(CC2CCNC2=O)c1)C1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is MBQXOGGSUMKTCI-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H23F2N5O2/c17-16(18)4-1-10(2-5-16)13(19)15(25)22-12-7-21-23(9-12)8-11-3-6-20-14(11)24/h7,9-11,13H,1-6,8,19H2,(H,20,24)(H,22,25)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide?
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 168936120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).